SCHEMBL167998

SCHEMBL167998

Cn1nc(-c2ccccc2)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.56
RAB9A P51151 8/20 0.53
ALDH1A1 P00352 8/20 0.53
NPC1 O15118 7/20 0.53
MAPT P10636 6/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 2/20 0.53
STAT1 P42224 1/20 0.53
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
KDM4E B2RXH2 3/20 0.53
GAA P10253 2/20 0.53
TSHR P16473 1/20 0.51
GFER P55789 1/20 0.51
LMNA P02545 2/20 0.50
STAT3 P40763 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
Pyrazole SCHEMBL27840107 0.84 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL13974502 0.82 MAPT (0.66) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL2685502 0.82 KDR (0.53) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL29767107 0.81 RAB9A (0.65) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL13974490 0.81 RAB9A (0.65) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL13860592 0.80 ESRRA (0.53) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL10112206 0.80 MAPT (0.56) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL2411656 0.80 MEN1 (0.58) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL10112053 0.80 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL16804440 0.80 MEN1 (0.50) SMN1; SMN2RAB9AALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP claimed
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US claimed
EP-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US claimed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO claimed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 US claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
WO-2025264959-A1 SUBSTITUTED PYRAZOLOPYRIDINES AS PHOSPHOINOSIDIDE KINASE (PIK) MODULATORS RECURSION PHARMACEUTICALS, INC. (US) 2025-12-26 WO disclosed
US-4018779-A Derivatives of 10,11-dihydrobenzo[4,5]cyclohepta[1,2-b]-pyrazolo[4,3-e]pyridine-5(1H)ones E. R. SQUIBB & SONS, INC. (US) 1977-04-19 US disclosed
US-3957782-A Pyrazolo [3,4-b]pyrazine-5-carboxylic acids, esters, nitriles and amides E. R. SQUIBB & SONS, INC. (US) 1976-05-18 US 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-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SMN1; SMN2 4091/4885RAB9A 2182/4885ALDH1A1 1695/4885
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SMN1; SMN2 4576/4885RAB9A 2241/4885ALDH1A1 2360/4885

“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.