SCHEMBL1997041

SCHEMBL1997041

N#Cc1ccc2ncccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
NQO1 P15559 1/20 0.43
HSD11B1 P28845 1/20 0.43
CYP3A4 P08684 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GRM5 P41594 2/20 0.41
KCNH2 Q12809 2/20 0.41
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SOS2 Q07890 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL28546795 0.98 ALDH1A1 (0.43) ALDH1A1NQO1HSD11B1CYP3A4MAPT
Hydrochloric Acid SCHEMBL27619884 0.98 ALDH1A1 (0.43) ALDH1A1NQO1HSD11B1CYP3A4MAPT
SCHEMBL1996656 0.83 MAPT (0.57) ALDH1A1NQO1CYP3A4MAPTKDM4E
Quinoline SCHEMBL28130812 0.83 ALDH1A1 (0.61) ALDH1A1NQO1CYP3A4KDM4EGRM5
SCHEMBL22075181 0.80 ALDH1A1 (0.45) ALDH1A1HSD11B1CYP3A4MAPTKDM4E
SCHEMBL2008467 0.80 ALDH1A1 (0.45) ALDH1A1HSD11B1CYP3A4MAPTKDM4E
SCHEMBL26009656 0.77 GRM5 (0.46) ALDH1A1CYP3A4MAPTKDM4EGRM5
SCHEMBL1998662 0.77 LMNA (0.61) ALDH1A1NQO1CYP3A4MAPTKDM4E
SCHEMBL17422696 0.75 LMNA (0.59) ALDH1A1NQO1CYP3A4MAPTKDM4E
SCHEMBL1999094 0.75 MAPT (0.53) ALDH1A1MAPTKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568963-A1 TERTIARY AMINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS Bristol-Myers Squibb Company (US) 2025-06-18 EP claimed
WO-2024036101-A1 TERTIARY AMINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-15 WO claimed
CN-113651818-B Condensed heteroaromatic ring organic luminescent material and preparation method and application thereof 三峡大学 2022-04-12 CN claimed
CN-113651818-A Condensed heteroaromatic ring organic luminescent material and preparation method and application thereof 三峡大学 2021-11-16 CN claimed
US-10550203-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2020-02-04 US claimed
US-20180319905-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2018-11-08 US claimed
US-20170015760-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2017-01-19 US claimed
US-9469741-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2016-10-18 US claimed
EP-2203482-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORP (JP) 2015-11-25 EP claimed
CN-104945540-A Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORP 2015-09-30 CN claimed
US-20130066016-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2013-03-14 US claimed
US-8362156-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2013-01-29 US claimed
US-8314189-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2012-11-20 US claimed
CN-102046624-A Tetrahydronaphthyridines and aza derivatives thereof as histamine H3 receptor antagonists EVOTEC AG 2011-05-04 CN claimed
US-20100280217-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-11-04 US claimed
CN-101874044-A Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORP 2010-10-27 CN claimed
EP-2203482-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS Bridgestone Corporation (JP) 2010-07-07 EP claimed
WO-2009051702-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-04-23 WO claimed
WO-2009051700-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (US) 2009-04-23 WO claimed
US-20090099325-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION 2009-04-16 US claimed