SCHEMBL10140073

SCHEMBL10140073

Cc1ccc(-c2nn(C)c(-c3nc4ccc(C#N)cc4[nH]3)c2CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.49
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
CSNK1A1 P48729 2/20 0.46
CSNK1D P48730 2/20 0.46
CSNK1G2 P78368 2/20 0.46
GSK3B P49841 1/20 0.46
CHEK2 O96017 2/20 0.45
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
DGAT1 O75907 2/20 0.41
KCNH2 Q12809 2/20 0.41
SOAT1 P35610 1/20 0.41
ATR Q13535 1/20 0.41
PIN1 Q13526 1/20 0.40
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40
F11 P03951 1/20 0.40
RHEB Q15382 1/20 0.40
POLB P06746 1/20 0.39

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 0.86 PKN1 (0.50) PTGDR2PKN1PKN2CSNK1A1CSNK1D
SCHEMBL7973722 0.85 MEN1 (0.50) CHEK2F9F10F11POLB
SCHEMBL10140860 0.81 PKN1 (0.47) PTGDR2PKN1PKN2CSNK1A1CSNK1D
SCHEMBL7959221 0.79 CHEK2 (0.53) PTGDR2PKN1PKN2CSNK1A1CSNK1D
SCHEMBL7973324 0.79 PKN1 (0.47) PTGDR2PKN1PKN2CSNK1A1CSNK1D
SCHEMBL7971500 0.79 PTGDR2 (0.49) PTGDR2PKN1PKN2CSNK1A1CSNK1D
SCHEMBL7982667 0.79 CHEK2 (0.52) PTGDR2PKN1PKN2CSNK1A1CSNK1D
SCHEMBL10139872 0.76 CHEK2 (0.46) PTGDR2PKN1PKN2CSNK1A1CSNK1D
SCHEMBL10140855 0.74 CHEK2 (0.49) PTGDR2PKN1PKN2CSNK1A1CSNK1D
SCHEMBL10140083 0.73 F10 (0.60) CHEK2F9F10F11

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 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.