SCHEMBL7970637

SCHEMBL7970637

Cn1nc(-c2ccccc2)c(O)c1-c1nc2cc(Cl)c(C#N)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.41
FASN P49327 5/20 0.41
KDM4E B2RXH2 2/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
FTO Q9C0B1 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL10140099 0.90 ALDH1A1 (0.40) KDM4ERAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7970074 0.84 KDM4E (0.41) RHEBKDM4ETP53NPC1RAB9A
SCHEMBL7982667 0.82 CHEK2 (0.52) PTGDR2F9F10F11F7
SCHEMBL10173220 0.80 CHEK2 (0.43) RHEBFASNPTGDR2MEN1KMT2A
SCHEMBL7959221 0.80 CHEK2 (0.53) NPC1RAB9ASMN1; SMN2PTGDR2MEN1
SCHEMBL7971071 0.80 F9 (0.40) RHEBKDM4EPTGDR2HSD17B10ALDH1A1
SCHEMBL7970842 0.79 NPC1 (0.55) KDM4ETP53NPC1RAB9ASMN1; SMN2
SCHEMBL7976170 0.78 ITK (0.48) KDM4ETP53NPC1RAB9ASMN1; SMN2
SCHEMBL10139808 0.78 P2RY6 (0.53) KDM4ETP53NPC1RAB9ASMN1; SMN2
SCHEMBL10139983 0.77 PDE10A (0.40) KDM4ERAB9ASMN1; SMN2MEN1KMT2A

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 RHEB 1473/4885FASN 3167/4885KDM4E 1387/4885

“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.