SCHEMBL362146

SCHEMBL362146

C=Nc1c(C)cc(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 5/20 0.39
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30

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
SCHEMBL19386740 0.79 KMT2A (0.36) RAPGEF4KDM4EKMT2A
SCHEMBL17133540 0.78 L3MBTL1 (0.40) ALDH1A1KDM4EMAPTTSHRMEN1
SCHEMBL11932674 0.77 MEN1 (0.30) MEN1KMT2AHSP90AA1ATM
SCHEMBL3286340 0.75 MEN1 (0.48) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL3286343 0.75 MEN1 (0.48) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL502928 0.75 RAPGEF4 (0.43) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL961129 0.74 RAPGEF4 (0.38) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL362368 0.74 TSHR (0.39) ALDH1A1MAPTTSHRHSD17B10
SCHEMBL6377762 0.73 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL13154687 0.72

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10620143-B2 Sensor and method of detecting an analyte using 19F NMR MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-04-14 US disclosed
EP-3369845-B1 ACTIVE CONTAINING FIBROUS STRUCTURES WITH MULTIPLE REGIONS HAVING DIFFERING DENSITIES PROCTER & GAMBLE (US) 2020-03-25 EP disclosed
EP-2800802-B1 ACTIVE CONTAINING FIBROUS STRUCTURES WITH MULTIPLE REGIONS HAVING DIFFERING DENSITIES PROCTER & GAMBLE (US) 2018-02-28 EP disclosed
US-9772568-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-09-26 US disclosed
US-9772568-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-09-26 US disclosed
US-20160291489-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-10-06 US disclosed
US-20160291489-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-10-06 US disclosed
US-8895781-B2 Transition metal-catalyzed C—H amination using unactivated amines GEORGETOWN UNIVERSITY (US) 2014-11-25 US disclosed
EP-2311112-B1 ELECTRONIC DEVICES COMPRISING METAL COMPLEXES HAVING ISONITRILE LIGANDS MERCK PATENT GMBH (DE) 2012-03-14 EP disclosed
US-20110213146-A1 Transition Metal-Catalyzed C-H Amination Using Unactivated Amines GEORGETOWN UNIVERSITY (US) 2011-09-01 US disclosed
US-20110101327-A1 Electronic Devices Comprising Metal Complexes Having Isonitrile Ligands MERCK PATENT GMBH (DE) 2011-05-05 US disclosed
WO-2010015307-A1 ELECTRONIC DEVICES COMPRISING METAL COMPLEXES HAVING ISONITRILE LIGANDS MERCK PATENT GMBH (DE) 2010-02-11 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 (2 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-20110101327-A1 Electronic Devices Comprising Metal Complexes Having Isonitrile Ligands EXOC4, ICMT, NCLN RAPGEF4 199/4885ALDH1A1 2323/4885KDM4E 3403/4885
US-20110213146-A1 Transition Metal-Catalyzed C-H Amination Using Unactivated Amines AOC3, AOC2, MPO RAPGEF4 2154/4885ALDH1A1 2510/4885KDM4E 2335/4885

“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.