SCHEMBL7972894

SCHEMBL7972894

Oc1c(-c2nc3cnccc3[nH]2)n[nH]c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 4/20 0.51
HTT P42858 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
F9 P00740 1/20 0.47
F10 P00742 1/20 0.47
F11 P03951 1/20 0.47
F7 P08709 1/20 0.47
CLK2 P49760 2/20 0.45
CLK3 P49761 2/20 0.45
DYRK1A Q13627 2/20 0.45
WNT1 P04628 1/20 0.45
TGFBR1 P36897 1/20 0.45
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL7975946 0.85 KDM4E (0.68) KDM4EALDH1A1HTTCYP1A2CYP3A4
SCHEMBL7982406 0.79 KDM4E (0.50) KDM4EALDH1A1HTTCYP1A2CYP3A4
SCHEMBL7975272 0.79 ITK (0.63) KDM4EALDH1A1HTTCYP1A2CYP3A4
SCHEMBL7127398 0.78 NPC1 (0.65) KDM4EALDH1A1HTTCYP3A4GAA
SCHEMBL7973109 0.78 F10 (0.52) KDM4EALDH1A1HTTCYP1A2CYP3A4
SCHEMBL10139794 0.77 F9 (0.56) KDM4EALDH1A1HTTCYP1A2CYP3A4
SCHEMBL10172578 0.77 F9 (0.56) KDM4EALDH1A1HTTCYP1A2CYP3A4
SCHEMBL10139790 0.77 F9 (0.56) KDM4EALDH1A1HTTCYP1A2CYP3A4
SCHEMBL10139787 0.76 KDM4E (0.58) KDM4EALDH1A1HTTCYP1A2CYP3A4
SCHEMBL7979283 0.76 KDM4E (0.47) KDM4EALDH1A1HTTCYP1A2CYP3A4

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-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 KDM4E 1387/4885ALDH1A1 1022/4885HTT 3243/4885

“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.