SCHEMBL1721807

SCHEMBL1721807

Cc1ccnc(S)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.40
COPS5 Q92905 1/20 0.40
RECQL P46063 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.36
PIK3CG P48736 1/20 0.36
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NOS3 P29474 2/20 0.34

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
SCHEMBL3559919 0.78 ALDH1A1 (0.40) RECQLALDH1A1NPC1LMNAPOLB
SCHEMBL30751791 0.78 ALDH1A1 (0.40) RECQLALDH1A1NPC1LMNAPOLB
SCHEMBL6060756 0.77 LRRK2 (0.33) ALDH1A1HPGDSMN1; SMN2GAAKDM4E
SCHEMBL15691383 0.77 ALDH1A1 (0.39) RECQLALDH1A1NPC1LMNAPOLB
SCHEMBL6569026 0.75 ALDH1A1 (0.41) RECQLALDH1A1NPC1LMNAPOLB
SCHEMBL3828718 0.75 ALDH1A1 (0.44) RECQLALDH1A1NPC1LMNAPOLB
SCHEMBL16539264 0.75 ALDH1A1 (0.38) RECQLALDH1A1NPC1LMNAPOLB
SCHEMBL677194 0.75 L3MBTL1 (0.45) RECQLALDH1A1NPC1LMNAPOLB
SCHEMBL1261198 0.75 NOS2 (0.54) RECQLALDH1A1NPC1LMNAPOLB
SCHEMBL27158634 0.75 SMN1; SMN2 (0.40) RECQLALDH1A1NPC1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023156599-A1 SYNTHESIS OF BRUTON'S TYROSINE KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-08-24 WO disclosed
EP-2406226-B1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-09-16 EP disclosed
US-8586755-B2 Substituted nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2013-11-19 US disclosed
US-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-07-19 US disclosed
US-8178684-B2 Substituted nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
EP-2406226-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP disclosed
WO-2010102809-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 WO disclosed
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 US disclosed
EP-1940849-B1 ISOTHIAZOLOPYRIDIN-3-YLENAMINES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2010-01-27 EP disclosed
EP-1915344-B1 CYANOPYRIDINE PESTICIDES BASF SE (DE) 2009-07-01 EP disclosed
US-20080227636-A1 Isothiazolopyridin-3-Ylenamines for Combating Animal Pests BASF SE (DE) 2008-09-18 US disclosed
US-20080207447-A1 Cyanopyridine Pesticides BASF AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
EP-1940849-A1 ISOTHIAZOLOPYRIDIN-3-YLENAMINES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2008-07-09 EP disclosed
EP-1915344-A1 CYANOPYRIDINE PESTICIDES BASF SE (DE) 2008-04-30 EP disclosed
WO-2007045588-A1 ISOTHIAZOLOPYRIDIN-3-YLENAMINES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2007-04-26 WO disclosed
WO-2007014913-A1 CYANOPYRIDINE PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 2007-02-08 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 (4 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-20080227636-A1 Isothiazolopyridin-3-Ylenamines for Combating Animal Pests IPO5, PIR, ACHE PSMD14 2941/4885COPS5 1932/4885RECQL 2927/4885
US-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 PSMD14 3852/4885COPS5 4653/4885RECQL 554/4885
US-20080207447-A1 Cyanopyridine Pesticides CBR3, CBR1, CHRM1 PSMD14 3814/4885COPS5 1603/4885RECQL 2037/4885
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 PSMD14 2756/4885COPS5 4518/4885RECQL 777/4885

“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.