SCHEMBL10172741

SCHEMBL10172741

Cc1ccc(-c2n[nH]c(-c3nc4ccc(C#N)cc4[nH]3)c2O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.53
F10 P00742 2/20 0.53
F11 P03951 2/20 0.53
F7 P08709 1/20 0.53
PKN1 Q16512 1/20 0.50
PKN2 Q16513 1/20 0.50
CSNK1A1 P48729 2/20 0.48
CSNK1D P48730 2/20 0.48
GSK3B P49841 2/20 0.48
CSNK1G2 P78368 2/20 0.48
CHEK2 O96017 4/20 0.47
METAP2 P50579 1/20 0.45
METAP1 P53582 1/20 0.45
MAP3K8 P41279 1/20 0.45
DGAT1 O75907 1/20 0.43
SOAT1 P35610 1/20 0.43
KCNH2 Q12809 1/20 0.43
ATR Q13535 1/20 0.43
PIN1 Q13526 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL20307796 0.92 F9 (0.44) F9F10F11F7PKN1
SCHEMBL7969419 0.90 F9 (0.52) F9F10F11F7PKN1
SCHEMBL7978212 0.90 F9 (0.65) F9F10F11F7PKN1
SCHEMBL7973329 0.83 F9 (0.45) F9F10F11F7CHEK2
SCHEMBL10139859 0.82 CHEK2 (0.64) F9F10F11F7PKN1
SCHEMBL7978374 0.81 F9 (0.54) F9F10F11F7GSK3B
SCHEMBL7976096 0.81 CHEK2 (0.54) F9F10F11F7PKN1
SCHEMBL10172686 0.81 CHEK2 (0.69) F9F10F11F7PKN1
SCHEMBL10140814 0.80 PKN1 (0.50) F9F10F11PKN1PKN2
SCHEMBL7975112 0.78 F9 (0.47) 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 4 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US 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.