SCHEMBL6918841

SCHEMBL6918841

Cc1ccc(-c2ncnc(Nc3cccc(C#N)c3)c2O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F9 P00740 9/20 1.00
F11 P03951 4/20 0.58
F7 P08709 4/20 0.58
CYP2C9 P11712 1/20 0.58
F10 P00742 2/20 0.54
EGFR P00533 3/20 0.53
ABCG2 Q9UNQ0 2/20 0.52
TP53 P04637 1/20 0.49
SLC2A1 P11166 1/20 0.46
FGFR1 P11362 1/20 0.44
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
CDC7 O00311 1/20 0.43
SYK P43405 1/20 0.43

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
SCHEMBL1232542 0.85 F9 (0.74) F9F11F7CYP2C9F10
SCHEMBL6918911 0.82 F9 (0.69) F9F11F7CYP2C9F10
SCHEMBL9607673 0.80 F9 (0.67) F9F11F7CYP2C9F10
SCHEMBL1232528 0.80 F9 (0.66) F9F11F7CYP2C9F10
SCHEMBL9607677 0.80 F9 (0.66) F9F11F7CYP2C9F10
SCHEMBL6920170 0.80 F9 (0.66) F9F11F7CYP2C9F10
SCHEMBL9607666 0.80 F9 (0.66) F9F11F7CYP2C9F10
SCHEMBL9607648 0.79 F9 (0.65) F9F11F7CYP2C9F10
SCHEMBL6918840 0.78 F9 (0.75) F9F11F7CYP2C9F10
SCHEMBL1232804 0.78 F9 (0.64) F9F11F7CYP2C9F10

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-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
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 1/4885F11 5/4885F7 7/4885

“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.