SCHEMBL7971674

SCHEMBL7971674

Cn1nc(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.42
DGAT1 O75907 5/20 0.41
KCNH2 Q12809 5/20 0.41
SOAT1 P35610 2/20 0.41
NPBWR1 P48145 4/20 0.40
ASIC3 Q9UHC3 1/20 0.39
KIT P10721 2/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
FGFR1 P11362 1/20 0.36
PIN1 Q13526 1/20 0.36

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
SCHEMBL7971418 0.88 SCD (0.42) KITFGFR1
SCHEMBL7962296 0.88 NPBWR1 (0.36) NPBWR1MAPT
SCHEMBL7972135 0.88 PDE10A (0.37) DGAT1KCNH2MAPTPTGDR2
SCHEMBL7960195 0.87 DHODH (0.42) KCNH2KITCYP1A2CYP3A4CYP2C9
SCHEMBL7971678 0.86 NPC1 (0.43) MAPT
SCHEMBL7971392 0.86 SCD (0.42) NPBWR1KITMAPTCYP3A4FGFR1
SCHEMBL7971018 0.86 HSD17B10 (0.37) MAPTPTGDR2
SCHEMBL7970061 0.85 GUSB (0.39) CYP1A2PTGDR2
SCHEMBL7973155 0.85 F9 (0.39) NPBWR1MAPT
SCHEMBL7966321 0.85 NPC1 (0.45) CYP1A2CYP2C9FGFR1PIN1

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 PDPK1 3623/4885DGAT1 3061/4885KCNH2 2017/4885

“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.