SCHEMBL6918447

SCHEMBL6918447

CCCCOc1c(Nc2ccc(C#N)c(F)c2)ncnc1-c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F9 P00740 8/20 0.44
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KDM1A O60341 1/20 0.39
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
F11 P03951 3/20 0.38
F7 P08709 3/20 0.38
CYP2C9 P11712 1/20 0.38
EGFR P00533 4/20 0.36
F10 P00742 2/20 0.36
SRC P12931 1/20 0.35
MAPT P10636 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
SCHEMBL1232597 0.85 F9 (0.45) F9KDM1ACYP11B1CYP11B2F11
SCHEMBL6919788 0.82 F9 (0.42) F9KDM4EGAAHPGDF11
SCHEMBL1232528 0.81 F9 (0.66) F9KDM1ACYP11B1CYP11B2F11
SCHEMBL6918532 0.76 F9 (0.42) F9KDM4EHPGDF11F7
SCHEMBL6918481 0.75 F9 (0.49) F9F11F7CYP2C9F10
SCHEMBL6917915 0.74 KDM4E (0.44) F9KDM4EGAAHPGDKDM1A
SCHEMBL6918519 0.74 F9 (0.47) F9F11F7CYP2C9F10
SCHEMBL6919151 0.73 F9 (0.42) F9F11F7CYP2C9EGFR
SCHEMBL9607666 0.72 F9 (0.66) F9F11F7CYP2C9EGFR
SCHEMBL6920180 0.70 F9 (0.52) F9CYP11B1CYP11B2F11F7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462123-B1 4,5,6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2013-10-02 EP disclosed
US-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
WO-2011017296-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2011-02-10 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-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS F9, F8, F12 F9 1/4885KDM4E 1014/4885GAA 817/4885

“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.