SCHEMBL9607622

SCHEMBL9607622

Cc1ccc(-c2nc(C(C)(C)C)nc(Nc3ccc(C(=N)N)cc3)c2O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 8/20 0.65
F10 P00742 7/20 0.65
F11 P03951 5/20 0.65
F7 P08709 4/20 0.65
CYP2C9 P11712 1/20 0.43
KDR P35968 2/20 0.42
MEN1 O00255 1/20 0.37
GBA1 P04062 1/20 0.37
KMT2A Q03164 1/20 0.37
F2 P00734 5/20 0.36
PLG P00747 4/20 0.36
PRSS1 P07477 1/20 0.36
PRMT1 Q99873 2/20 0.36
PLAU P00749 4/20 0.36
PLAT P00750 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NQO2 P16083 1/20 0.36
KLK1 P06870 1/20 0.36
KLK5 Q9Y337 1/20 0.36
PRMT5 O14744 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
SCHEMBL6919971 0.89 F9 (0.48) F9F10F11F7CYP2C9
SCHEMBL9607621 0.83 F9 (0.64) F9F10F11F7CYP2C9
SCHEMBL1233111 0.82 F9 (0.65) F9F10F11F7CYP2C9
SCHEMBL9607754 0.81 F9 (0.41) F9F10F11F7CYP2C9
SCHEMBL1232626 0.81 F9 (0.48) F9F10F11F7CYP2C9
SCHEMBL1232151 0.80 F9 (0.62) F9F10F11F7CYP2C9
SCHEMBL1232149 0.79 F9 (1.00) F9F10F11F7CYP2C9
SCHEMBL6919197 0.78 F9 (0.59) F9F10F11F7CYP2C9
SCHEMBL1231149 0.70 F9 (0.65) F9F10F11F7KDR
SCHEMBL9607763 0.70 MEN1 (0.52) F9F10F11F7CYP2C9

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 1/4885F10 9/4885F11 5/4885

“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.