SCHEMBL2684881

SCHEMBL2684881

Cn1cc(-c2ccccn2)nn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.58
GSK3B P49841 1/20 0.58
KDM4E B2RXH2 6/20 0.54
LMNA P02545 3/20 0.54
CCR1 P32246 2/20 0.54
CCR5 P51681 2/20 0.54
CCR8 P51685 2/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
METAP1 P53582 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
DOHH Q9BU89 1/20 0.54
P4HTM Q9NXG6 1/20 0.54
MIF P14174 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.52
TP53 P04637 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.52
ALOX15 P16050 2/20 0.52

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
SCHEMBL31659392 1.00 FLT3 (0.58) FLT3GSK3BKDM4ELMNACCR1
SCHEMBL15293913 0.79 KDM4E (0.44) FLT3GSK3BKDM4ELMNACCR1
SCHEMBL17084697 0.78 KDM4E (0.46) FLT3GSK3BKDM4EKDM4AKDM5C
SCHEMBL12075527 0.78 BRD4 (0.41) FLT3GSK3BKDM4ELMNACCR1
SCHEMBL15451914 0.78 L3MBTL1 (0.57) FLT3GSK3BKDM4ELMNACCR1
SCHEMBL13036564 0.77 FLT3 (0.54) FLT3GSK3BKDM4ELMNACCR1
SCHEMBL17108202 0.77 FLT3 (0.54) FLT3GSK3BKDM4ELMNACCR1
SCHEMBL13073931 0.77 L3MBTL1 (0.60) FLT3GSK3BKDM4ELMNACCR1
Dipyridyl SCHEMBL3796795 0.76 KDM4E (0.93) FLT3GSK3BKDM4ELMNACCR1
Dipyridyl SCHEMBL722577 0.76 KDM4E (0.93) FLT3GSK3BKDM4ELMNACCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
WO-2019077223-A1 HEAT-SENSITIVE COPOLYMERS CAPABLE OF COMPLEXING CO(II) CATIONS IN AN AQUEOUS SOLUTION ONET TECHNOLOGIES ND (FR) 2019-04-25 WO disclosed
EP-2678346-B9 METAL COMPLEXES FOR USE AS DOPANTS AND OTHER USES ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2018-08-08 EP disclosed
US-10038150-B2 Metal complexes for use as dopants and other uses ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2018-07-31 US disclosed
EP-2678346-B1 METAL COMPLEXES FOR USE AS DOPANTS AND OTHER USES ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2018-04-04 EP disclosed
US-9779879-B2 Redox couple for electrochemical and optoelectronic devices ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2017-10-03 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-9559321-B2 Metal complexes for use as dopants and other uses ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2017-01-31 US disclosed
US-20160233439-A1 METAL COMPLEXES FOR USE AS DOPANTS AND OTHER USES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2016-08-11 US disclosed
US-20140060641-A1 REDOX COUPLE FOR ELECTROCHEMICAL AND OPTOELECTRONIC DEVICES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (FR) 2014-03-06 US disclosed
EP-2638035-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP disclosed
EP-2551949-A1 Metal complexes for use as dopants and other uses Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2013-01-30 EP disclosed
EP-2492277-A1 Improved redox couple for electrochemical and optoelectronic devices Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2012-08-29 EP disclosed
WO-2012062623-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed
US-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II ROCHE PALO ALTO LLC 2012-05-10 US disclosed
US-20110187265-A1 PHOSPHORESCENT METAL COMPLEX COMPOUND, METHOD FOR THE PREPARATION THEREOF AND RADIATING COMPONENT OSRAM OLED GMBH (DE) 2011-08-04 US disclosed
US-20080262070-A1 Pharmaceutically Active Tetrahydro-Pyrrolizinone Compounds BAUMANN KARL 2008-10-23 US disclosed
US-20080262070-A1 Pharmaceutically Active Tetrahydro-Pyrrolizinone Compounds BAUMANN KARL 2008-10-23 US disclosed
WO-2007039286-A1 TETRAHYDRO-PYRROLIZINONE COMPOUNDS AS LFA-I MEDIATORS NOVARTIS AG (CH) 2007-04-12 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 (7 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-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A FLT3 3928/4885GSK3B 1336/4885KDM4E 2066/4885
US-10038150-B2 Metal complexes for use as dopants and other uses SOD1, DDT, SOD3 FLT3 3786/4885GSK3B 2872/4885KDM4E 4298/4885
US-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II GABRA5, GABRA1, GABRA3 FLT3 460/4885GSK3B 1176/4885KDM4E 1548/4885
US-20160233439-A1 METAL COMPLEXES FOR USE AS DOPANTS AND OTHER USES SOD1, DDT, SOD3 FLT3 3786/4885GSK3B 2872/4885KDM4E 4298/4885
US-20080262070-A1 Pharmaceutically Active Tetrahydro-Pyrrolizinone Compounds VCAM1, ICAM1, EPCAM FLT3 576/4885GSK3B 2391/4885KDM4E 3500/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A FLT3 3928/4885GSK3B 1336/4885KDM4E 2066/4885
US-20110187265-A1 PHOSPHORESCENT METAL COMPLEX COMPOUND, METHOD FOR THE PREPARATION THEREOF AND RADIATING COMPONENT OSTC, ORC3, OSBP FLT3 1378/4885GSK3B 1142/4885KDM4E 3709/4885

“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.