SCHEMBL10139787

SCHEMBL10139787

COc1ccc2[nH]c(-c3n[nH]c(-c4ccccc4)c3O)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
MAPT P10636 5/20 0.58
KMT2A Q03164 4/20 0.58
GAPDH P04406 1/20 0.58
TP53 P04637 4/20 0.52
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 2/20 0.47
GAA P10253 2/20 0.47
CYP2C19 P33261 2/20 0.47
HTT P42858 2/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL10139818 0.93 KDM4E (0.55) KDM4EMAPTKMT2AGAPDHTP53
SCHEMBL10139817 0.89 KMT2A (0.48) KDM4EMAPTKMT2AGAPDHTP53
SCHEMBL7982406 0.82 KDM4E (0.50) KDM4EMAPTKMT2AGAPDHTP53
SCHEMBL7979283 0.82 KDM4E (0.47) KDM4EMAPTKMT2AGAPDHALDH1A1
SCHEMBL10139785 0.82 CNR1 (0.55) KDM4EMAPTKMT2AGAPDHALDH1A1
SCHEMBL7975946 0.81 KDM4E (0.68) KDM4EMAPTKMT2AGAPDHTP53
SCHEMBL7976501 0.81 CHEK2 (0.56) KDM4EMAPTKMT2AGAPDHCHEK1
SCHEMBL20307758 0.81 NPC1 (0.52) KDM4EMAPTKMT2AGAPDHTP53
SCHEMBL2324292 0.80 NPC1 (0.78) KDM4EMAPTKMT2ATP53ALDH1A1
SCHEMBL7973859 0.80 NPC1 (0.53) KDM4EMAPTKMT2AGAPDHTP53

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 KDM4E 1387/4885MAPT 4510/4885KMT2A 2422/4885

“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.