SCHEMBL2116198

SCHEMBL2116198

CCC[Sn](CCC)(CCC)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.38
KCNH2 Q12809 1/20 0.38
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNE1 P15382 1/20 0.36
LMNA P02545 4/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
METAP1 P53582 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
DOHH Q9BU89 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
MEN1 O00255 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28505 0.88 CYP1A2 (0.41) KCNA5KCNH2CYP2D6CYP1A2CYP19A1
SCHEMBL4037008 0.88 CYP1A2 (0.41) KCNA5KCNH2CYP2D6CYP1A2CYP19A1
SCHEMBL29390052 0.88 CYP1A2 (0.41) KCNA5KCNH2CYP2D6CYP1A2CYP19A1
SCHEMBL31024051 0.86 CYP1A2 (0.40) KCNA5KCNH2CYP2D6CYP1A2CYP19A1
SCHEMBL30275457 0.86 CYP1A2 (0.40) KCNA5KCNH2CYP2D6CYP1A2CYP19A1
SCHEMBL14689460 0.85 LMNA (0.40) CYP2D6CYP1A2CYP19A1CYP2C9CYP2C19
Methylamine SCHEMBL26629017 0.85 CYP1A2 (0.39) KCNA5KCNH2CYP2D6CYP1A2CYP19A1
SCHEMBL15529304 0.85 KDM4E (0.43) CYP2D6CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL19307688 0.85 LMNA (0.40) CYP2D6CYP1A2CYP19A1CYP2C9CYP2C19
Iodide SCHEMBL28032261 0.75 CYP1A2 (0.40) KCNA5KCNH2CYP2D6CYP1A2CYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10727422-B2 Synthesis of four coordinated palladium complexes and their applications in light emitting devices thereof ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2020-07-28 US disclosed
US-20190312217-A1 SYNTHESIS OF FOUR COORDINATED PALLADIUM COMPLEXES AND THEIR APPLICATIONS IN LIGHT EMITTING DEVICES THEREOF UNIV ARIZONA STATE (US) 2019-10-10 US disclosed
US-10414785-B2 Pyridine-oxyphenyl coordinated iridium (III) complexes and methods of making and using ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-09-17 US disclosed
US-10263197-B2 Synthesis of four coordinated palladium complexes and their applications in light emitting devices thereof ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-04-16 US disclosed
US-20180130960-A1 Synthesis of Four Coordinated Palladium Complexes and Their Applications in Light Emitting Devices Thereof ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-05-10 US disclosed
US-20170342098-A1 Pyridine-Oxyphenyl Coordinated Iridium (III) Complexes and Methods of Making and Using ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2017-11-30 US disclosed
EP-2417217-B1 SYNTHESIS OF FOUR COORDINATED PLATINUM COMPLEXES AND THEIR APPLICATIONS IN LIGHT EMITTING DEVICES THEREOF ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIV (US) 2017-11-22 EP disclosed
US-9755163-B2 Synthesis of four coordinated palladium complexes and their applications in light emitting devices thereof ARIZONA BOARD OF REGENTS ACTING FOR OR ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-09-05 US disclosed
US-9598449-B2 Pyridine-oxyphenyl coordinated iridium (III) complexes and methods of making and using ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-03-21 US disclosed
US-9586962-B2 Disubstituted octahydropyrrolo [3,4-C] pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-03-07 US disclosed
US-20140114072-A1 SYNTHESIS OF FOUR COORDINATED PALLADIUM COMPLEXES AND THEIR APPLICATIONS IN LIGHT EMITTING DEVICES THEREOF ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2014-04-24 US disclosed
US-20130237706-A1 Synthesis of Four Coordinated Gold Complexes and Their Applications in Light Emitting Devices Thereof ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2013-09-12 US disclosed
US-20130203996-A1 Synthesis of Four Coordinated Palladium Complexes and Their Applications in Light Emitting Devices Thereof LI JIAN (US) 2013-08-08 US disclosed
WO-2012145581-A1 DISUBSTITUTED OCTAHY-DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-26 WO disclosed
US-20120264938-A1 Pyridine-Oxyphenyl Coordinated Iridium (III) Complexes and Methods of Making and Using ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2012-10-18 US disclosed
WO-2012142387-A1 PYRIDINE-OXYPHENYL COORDINATED IRIDIUM (III) COMPLEXES AND METHODS OF MAKING AND USING ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2012-10-18 WO disclosed
US-20120095232-A1 SYNTHESIS OF FOUR COORDINATED PLATINUM COMPLEXES AND THEIR APPLICATIONS IN LIGHT EMITTING DEVICES THEREOF ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2012-04-19 US disclosed
WO-2011137431-A2 SYNTHESIS OF FOUR COORDINATED GOLD COMPLEXES AND THEIR APPLICATIONS IN LIGHT EMITTING DEVICES THEREOF ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2011-11-03 WO disclosed
WO-2011137429-A2 SYNTHESIS OF FOUR COORDINATED PALLADIUM COMPLEXES AND THEIR APPLICATIONS IN LIGHT EMITTING DEVICES THEREOF ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2011-11-03 WO disclosed
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170342098-A1 Pyridine-Oxyphenyl Coordinated Iridium (III) Complexes and Methods of Making and Using MT-CO3, INO80C, COX6C KCNA5 2431/4885KCNH2 720/4885CYP2D6 1028/4885
US-20130203996-A1 Synthesis of Four Coordinated Palladium Complexes and Their Applications in Light Emitting Devices Thereof DDT, SOD1, PPOX KCNA5 4106/4885KCNH2 2590/4885CYP2D6 1489/4885
US-10414785-B2 Pyridine-oxyphenyl coordinated iridium (III) complexes and methods of making and using MT-CO3, INO80C, COX6C KCNA5 2431/4885KCNH2 720/4885CYP2D6 1028/4885
US-20190312217-A1 SYNTHESIS OF FOUR COORDINATED PALLADIUM COMPLEXES AND THEIR APPLICATIONS IN LIGHT EMITTING DEVICES THEREOF DDT, SOD1, PPOX KCNA5 4106/4885KCNH2 2590/4885CYP2D6 1489/4885
US-20180130960-A1 Synthesis of Four Coordinated Palladium Complexes and Their Applications in Light Emitting Devices Thereof DDT, SOD1, PPOX KCNA5 4106/4885KCNH2 2590/4885CYP2D6 1489/4885
US-20120264938-A1 Pyridine-Oxyphenyl Coordinated Iridium (III) Complexes and Methods of Making and Using MT-CO3, INO80C, COX6C KCNA5 2431/4885KCNH2 720/4885CYP2D6 1028/4885
US-20120095232-A1 SYNTHESIS OF FOUR COORDINATED PLATINUM COMPLEXES AND THEIR APPLICATIONS IN LIGHT EMITTING DEVICES THEREOF ERCC4, PPOX, ERCC1 KCNA5 3222/4885KCNH2 1454/4885CYP2D6 1867/4885
US-10727422-B2 Synthesis of four coordinated palladium complexes and their applications in light emitting devices thereof DDT, SOD1, PPOX KCNA5 4106/4885KCNH2 2590/4885CYP2D6 1489/4885
US-10263197-B2 Synthesis of four coordinated palladium complexes and their applications in light emitting devices thereof DDT, SOD1, PPOX KCNA5 4106/4885KCNH2 2590/4885CYP2D6 1489/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.