SCHEMBL9607617

SCHEMBL9607617

Cc1ccc(-c2ncnc(Nc3ccc(Cl)c(CN)c3)c2O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 10/20 0.68
F11 P03951 4/20 0.68
F7 P08709 4/20 0.68
CYP2C9 P11712 1/20 0.68
F10 P00742 2/20 0.57
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 2/20 0.37
ERBB2 P04626 2/20 0.37
EPHA2 P29317 1/20 0.37
EPHB4 P54760 1/20 0.37
CSF1R P07333 1/20 0.36
PDGFRB P09619 1/20 0.36
GSK3A P49840 1/20 0.36
CDK9 P50750 1/20 0.36
CDK5 Q00535 1/20 0.36
ACVR1 Q04771 1/20 0.36
CDK5R1 Q15078 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
DYRK1B Q9Y463 1/20 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
SCHEMBL9607615 0.91 F9 (0.68) F9F11F7CYP2C9F10
SCHEMBL6918539 0.89 F9 (0.71) F9F11F7CYP2C9F10
SCHEMBL6920341 0.87 F9 (0.68) F9F11F7CYP2C9F10
SCHEMBL1231123 0.84 F9 (0.68) F9F11F7CYP2C9F10
SCHEMBL1233112 0.81 F9 (1.00) F9F11F7CYP2C9F10
SCHEMBL6919853 0.80 F9 (0.71) F9F11F7CYP2C9F10
SCHEMBL6920170 0.80 F9 (0.66) F9F11F7CYP2C9F10
SCHEMBL1232830 0.78 F9 (0.72) F9F11F7CYP2C9F10
SCHEMBL6918463 0.78 F9 (0.76) F9F11F7CYP2C9F10
SCHEMBL9607677 0.78 F9 (0.66) 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 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
US-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2012-05-31 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-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.