SCHEMBL6918840

SCHEMBL6918840

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 11/20 0.75
F11 P03951 5/20 0.75
F7 P08709 4/20 0.75
F10 P00742 4/20 0.75
CYP2C9 P11712 1/20 0.60
FGFR1 P11362 2/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
EGFR P00533 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1232149 0.86 F9 (1.00) F9F11F7F10CYP2C9
SCHEMBL6918926 0.82 F9 (1.00) F9F11F7F10CYP2C9
SCHEMBL1232217 0.82 F9 (0.71) F9F11F7F10CYP2C9
SCHEMBL9607673 0.79 F9 (0.67) F9F11F7F10CYP2C9
SCHEMBL9607648 0.78 F9 (0.65) F9F11F7F10CYP2C9
SCHEMBL1232175 0.78 F9 (0.73) F9F11F7F10CYP2C9
SCHEMBL6918841 0.78 F9 (1.00) F9F11F7F10CYP2C9
SCHEMBL6918463 0.76 F9 (0.76) F9F11F7F10CYP2C9
SCHEMBL6919026 0.76 F9 (1.00) F9F11F7F10CYP2C9
SCHEMBL9607674 0.76 F9 (0.62) F9F11F7F10CYP2C9

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.