SCHEMBL7966178

SCHEMBL7966178

CCOc1ccc2nc(-c3c(OC)c(-c4ccccc4)nn3C)[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
MAPT P10636 5/20 0.65
HPGD P15428 4/20 0.65
TP53 P04637 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
ALDH1A1 P00352 3/20 0.65
KDM4E B2RXH2 3/20 0.65
TSHR P16473 2/20 0.65
NFKB1 P19838 2/20 0.65
NFKB2 Q00653 2/20 0.65
RELA Q04206 2/20 0.65
HSD17B10 Q99714 2/20 0.65
USP2 O75604 1/20 0.65
LMNA P02545 1/20 0.65
CBFB Q13951 1/20 0.53
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
RUNX1 Q01196 1/20 0.44
MAPK8 P45983 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
SCHEMBL10139799 0.91 NPC1 (0.65) NPC1RAB9AMAPTHPGDTP53
SCHEMBL7982191 0.85 P2RY6 (0.51) NPC1RAB9AMAPTHPGDTP53
SCHEMBL7961586 0.80 CHEK2 (0.53) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL10140405 0.80 CHEK2 (0.48) NPC1RAB9AMAPTHPGDTP53
SCHEMBL7966206 0.79 CHEK2 (0.61) CHEK2
SCHEMBL7960793 0.79 KDM4E (0.52) NPC1RAB9AMAPTHPGDTP53
SCHEMBL7970762 0.78 AMY1A (0.44) NPC1RAB9AMAPTHPGDTP53
SCHEMBL10139875 0.77 HDAC6 (0.49) NPC1RAB9AMAPTHPGDTP53
SCHEMBL7959385 0.77 CHEK2 (0.57) MAPTTP53SMN1; SMN2CHEK2CYP3A4
SCHEMBL7959879 0.76 KDM4E (0.40) NPC1RAB9AMAPTHPGDTP53

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 NPC1 1029/4885RAB9A 400/4885MAPT 4510/4885

“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.