SCHEMBL7975112

SCHEMBL7975112

Cc1ccc(-c2n[nH]c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.47
F10 P00742 2/20 0.47
F11 P03951 2/20 0.47
F7 P08709 1/20 0.47
SMPD3 Q9NY59 1/20 0.39
CHEK2 O96017 2/20 0.37
MAPK1 P28482 2/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPK6 Q16659 1/20 0.36
MAPKAPK5 Q8IW41 1/20 0.36
NPBWR1 P48145 2/20 0.36
GUSB P08236 1/20 0.36
BRD4 O60885 1/20 0.36
AMY1A P0DUB6 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL20307729 0.91 F9 (0.40) F9F10F11F7SMPD3
SCHEMBL7977818 0.90 F9 (0.48) F9F10F11F7NPBWR1
SCHEMBL16258933 0.89 F9 (0.47) F9F10F11F7CHEK2
SCHEMBL7969289 0.84 F9 (0.48) F9F10F11F7GUSB
SCHEMBL7969287 0.84 F9 (0.46) F9F10F11F7NPBWR1
SCHEMBL7973330 0.84 F9 (0.44) F9F10F11F7CHEK2
SCHEMBL7970397 0.83 F9 (0.43) F9F10F11F7SMPD3
SCHEMBL7980064 0.83 GSK3B (0.49) F9F10F11F7
SCHEMBL7973518 0.82 F9 (0.43) F9F10F11F7SMPD3
SCHEMBL7972949 0.81 F9 (0.46) F9F10F11F7CHEK2

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 F9 1/4885F10 11/4885F11 4/4885

“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.