SCHEMBL7976170

SCHEMBL7976170

Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(O)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.48
CBFB Q13951 1/20 0.48
GAA P10253 3/20 0.46
CHEK1 O14757 2/20 0.46
TSHR P16473 2/20 0.46
PRKD3 O94806 1/20 0.46
PAK4 O96013 1/20 0.46
PDGFRA P16234 1/20 0.46
LTK P29376 1/20 0.46
MAP2K2 P36507 1/20 0.46
MAPK8 P45983 1/20 0.46
CDK8 P49336 1/20 0.46
RPS6KA3 P51812 1/20 0.46
PRKX P51817 1/20 0.46
NEK2 P51955 1/20 0.46
LIMK1 P53667 1/20 0.46
CDK5 Q00535 1/20 0.46
PRKCQ Q04759 1/20 0.46
MAP4K2 Q12851 1/20 0.46
ROCK1 Q13464 1/20 0.46

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
SCHEMBL10139808 0.90 P2RY6 (0.53) CBFBGAAPKMF9F10
SCHEMBL7970842 0.89 NPC1 (0.55) GAATSHRPKMKDRNPC1
SCHEMBL10139885 0.88 MAPT (0.60) GAACHEK1PKMF9F10
SCHEMBL7976986 0.86 CHEK2 (0.53) F9F10F11F7NPC1
SCHEMBL10139923 0.86 CBFB (0.50) CBFBGAATSHRF9F10
SCHEMBL10139913 0.85 F9 (0.43) GAATSHRAURKBF9F10
SCHEMBL7982667 0.85 CHEK2 (0.52) F9F10F11F7PDE10A
SCHEMBL10140793 0.85 F9 (0.41) GAATSHRCDK4CCNA2CCND1
SCHEMBL7969435 0.84 CHEK2 (0.65) CHEK1F9F10F11F7
SCHEMBL7959221 0.83 CHEK2 (0.53) F9F10F11F7PDE10A

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 ITK 2495/4885CBFB 627/4885GAA 554/4885

“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.