SCHEMBL7962296

SCHEMBL7962296

Cc1cccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.36
MAPK14 Q16539 2/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
HSD17B2 P37059 1/20 0.35
PBRM1 Q86U86 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 1/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL7972135 0.92 PDE10A (0.37) NPC1RAB9AMAPTSMN1; SMN2CDK4
SCHEMBL7970587 0.91 TOP1 (0.34) ALDH1A1HPGDSMN1; SMN2GUSB
SCHEMBL7973155 0.91 F9 (0.39) NPBWR1NPC1RAB9AALDH1A1MAPT
SCHEMBL7971678 0.90 NPC1 (0.43) HSD17B2NPC1RAB9AKDM4EALDH1A1
SCHEMBL7971418 0.90 SCD (0.42) HSD17B2SCDGUSBDHODHABL1
SCHEMBL7971392 0.90 SCD (0.42) NPBWR1HSD17B2KDM4EALDH1A1TP53
SCHEMBL7970581 0.90 F9 (0.40) NPBWR1NPC1RAB9AALDH1A1MAPT
SCHEMBL7971018 0.90 HSD17B10 (0.37) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL7966321 0.89 NPC1 (0.45) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL20307716 0.89 ALOX5 (0.36) HSD17B2ALDH1A1HPGDSMN1; SMN2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 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 (1 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 NPBWR1 3598/4885MAPK14 2276/4885CSNK1D 1396/4885

“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.