SCHEMBL10140103

SCHEMBL10140103

Cc1cc2[nH]c(-c3c(O)c(-c4ccccc4)nn3C)nc2cc1CN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.39
F10 P00742 2/20 0.39
F11 P03951 2/20 0.39
F7 P08709 2/20 0.39
CDK4 P11802 2/20 0.37
CCNA2 P20248 2/20 0.37
CCND1 P24385 2/20 0.37
CDK2 P24941 2/20 0.37
CCND3 P30281 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
KDM4E B2RXH2 4/20 0.37
GUSB P08236 2/20 0.36
CHEK1 O14757 1/20 0.36
KDR P35968 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
CBFB Q13951 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
MAPT P10636 4/20 0.36
NPC1 O15118 3/20 0.36

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
SCHEMBL10139913 0.84 F9 (0.43) F9F10F11F7KDM4E
SCHEMBL7960247 0.82 F9 (0.60) F9F10F11F7CDK4
SCHEMBL7970842 0.80 NPC1 (0.55) KDM4EKDRMAPTNPC1ALDH1A1
SCHEMBL10139885 0.80 MAPT (0.60) F9F10F11F7KDM4E
SCHEMBL7962282 0.80 PTGDR2 (0.41) F9F10F11KDM4EPTGDR2
SCHEMBL7976170 0.80 ITK (0.48) F9F10F11F7CDK4
SCHEMBL10139808 0.80 P2RY6 (0.53) F9F10F11F7KDM4E
SCHEMBL7970074 0.80 KDM4E (0.41) F9F10F11F7CDK4
SCHEMBL10140099 0.79 ALDH1A1 (0.40) F9F10F11F7ADORA3
SCHEMBL10139923 0.78 CBFB (0.50) F9F10F11F7KDM4E

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 6 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

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.