SCHEMBL7971500

SCHEMBL7971500

Cn1nc(-c2ccc(Cl)cc2)c(O)c1-c1nc2ccc(C#N)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.49
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
CHEK2 O96017 1/20 0.45
RHEB Q15382 1/20 0.45
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
HIF1A Q16665 1/20 0.42
AMY1A P0DUB6 1/20 0.42
KDR P35968 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL10140814 0.93 PKN1 (0.50) PTGDR2PKN1PKN2CHEK2RHEB
SCHEMBL7959221 0.90 CHEK2 (0.53) PTGDR2PKN1PKN2CHEK2METAP2
SCHEMBL7973324 0.90 PKN1 (0.47) PTGDR2PKN1PKN2CHEK2RHEB
SCHEMBL7982667 0.89 CHEK2 (0.52) PTGDR2PKN1PKN2CHEK2METAP2
SCHEMBL10139872 0.86 CHEK2 (0.46) PTGDR2PKN1PKN2CHEK2RHEB
SCHEMBL7960334 0.84 MEN1 (0.62) CHEK2AMY1AKDM4EMEN1NPC1
SCHEMBL10173220 0.81 CHEK2 (0.43) PTGDR2PKN1PKN2CHEK2RHEB
SCHEMBL16258982 0.81 RHEB (0.40) PTGDR2PKN1PKN2CHEK2RHEB
SCHEMBL10139878 0.81 CHEK2 (0.65) CHEK2MEN1MAPTKMT2ASIRT2
SCHEMBL7971481 0.81 HIF1A (0.46) PTGDR2CHEK2HIF1AAMY1AKDR

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 PTGDR2 3200/4885PKN1 2799/4885PKN2 2028/4885

“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.