SCHEMBL7970443

SCHEMBL7970443

CC(=O)N1Cc2cc3nc(-c4c(O)c(-c5ccc(C)cc5)nn4C)[nH]c3cc2C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.39
CHEK2 O96017 5/20 0.39
BRD4 O60885 1/20 0.39
F9 P00740 1/20 0.37
F10 P00742 1/20 0.37
F11 P03951 1/20 0.37
HPSE Q9Y251 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
EGFR P00533 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
ABCB1 P08183 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL7973945 0.89 MEN1 (0.38) ATRCHEK2EGFR
SCHEMBL10140042 0.88 ATR (0.44) ATRCHEK2F9F10F11
SCHEMBL7970581 0.84 F9 (0.40) ATRCHEK2BRD4F9F10
SCHEMBL7973327 0.84 CA12 (0.39) ATRCHEK2F9F10F11
SCHEMBL7973155 0.83 F9 (0.39) ATRCHEK2BRD4F9F10
SCHEMBL10140043 0.83 TMEM97 (0.42) PTGDR2
SCHEMBL7970397 0.83 F9 (0.43) ATRCHEK2BRD4F9F10
SCHEMBL7970080 0.80 CA12 (0.35) CHEK2F9F10F11CA12
SCHEMBL7971684 0.79 NPBWR1 (0.40) ATRCHEK2BRD4F9F10
SCHEMBL7975727 0.79 HDAC6 (0.45) PTGDR2

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 ATR 4648/4885CHEK2 4794/4885BRD4 3960/4885

“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.