SCHEMBL7960195

SCHEMBL7960195

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KIT P10721 2/20 0.40
TRPV1 Q8NER1 1/20 0.38
MGLL Q99685 1/20 0.38
P2RY6 Q15077 1/20 0.37
MAPK14 Q16539 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
CLK2 P49760 1/20 0.36
DYRK1A Q13627 1/20 0.36
HASPIN Q8TF76 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE10A Q9Y233 1/20 0.36
RUNX1 Q01196 2/20 0.35
CBFB Q13951 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL10139971 0.92 TRPV1 (0.41) TRPV1P2RY6KCNH2RUNX1CBFB
SCHEMBL7966321 0.90 NPC1 (0.45) DHODHCYP1A2CYP2C9BRD4KDM4E
SCHEMBL7971674 0.87 PDPK1 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19KIT
SCHEMBL7971418 0.86 SCD (0.42) DHODHKITPDE10A
SCHEMBL7962296 0.86 NPBWR1 (0.36) DHODHMAPK14KDM4ENPC1ALDH1A1
SCHEMBL7972135 0.85 PDE10A (0.37) KCNH2PDE10ANPC1POLBRAB9A
SCHEMBL7972259 0.84 FGFR1 (0.40) KITMAPK14BACE1
SCHEMBL7971392 0.84 SCD (0.42) CYP3A4KITBRD4KDM4EALDH1A1
SCHEMBL7971678 0.84 NPC1 (0.43) KDM4ENPC1ALDH1A1POLBRAB9A
SCHEMBL7971018 0.83 HSD17B10 (0.37) P2RY6BRD4PDE10AKDM4ENPC1

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 DHODH 538/4885CYP1A2 324/4885CYP3A4 344/4885

“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.