SCHEMBL10140044

SCHEMBL10140044

COc1ccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
PDE2A O00408 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
ERN1 O75460 3/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
PIK3CA P42336 2/20 0.34
AMY1A P0DUB6 1/20 0.34
TDO2 P48775 1/20 0.34
MAPT P10636 1/20 0.34
CHEK2 O96017 1/20 0.34
MTOR P42345 1/20 0.34
ATM Q13315 1/20 0.34
ATR Q13535 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL7960290 0.89 NPC1 (0.42) TDO2MAPTATRKCNH2
SCHEMBL10139977 0.89 NPC1 (0.40) MAPTCHEK2
SCHEMBL10139980 0.87 SMPD3 (0.37) AMY1AMAPTKCNH2
SCHEMBL7969281 0.86 BRD9 (0.38) PDE2AERN1AMY1A
SCHEMBL7973155 0.86 F9 (0.39) MAPTCHEK2ATR
SCHEMBL7970941 0.85 BACE1 (0.35) AMY1A
SCHEMBL7972135 0.85 PDE10A (0.37) MAPTCHEK2KCNH2
SCHEMBL7970581 0.85 F9 (0.40) MAPTCHEK2ATR
SCHEMBL10140038 0.85 KIT (0.37) MAPTKCNH2
SCHEMBL7960814 0.84 NPC1 (0.39)

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 6 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

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 HSD17B1 1128/4885HSD17B2 1568/4885PDE2A 825/4885

“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.