SCHEMBL1233103

SCHEMBL1233103

Nc1n[nH]c2cc(Nc3ncnc(-c4ccc(Cl)cc4)c3O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F9 P00740 9/20 0.53
F11 P03951 4/20 0.45
F7 P08709 4/20 0.45
F10 P00742 2/20 0.45
CYP2C9 P11712 1/20 0.44
SGK1 O00141 2/20 0.42
TRPA1 O75762 3/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MET P08581 1/20 0.41
KDR P35968 1/20 0.41
MAPK10 P53779 3/20 0.41
MAPK14 Q16539 3/20 0.41
MAPK8 P45983 2/20 0.41
TTBK1 Q5TCY1 1/20 0.40
TTBK2 Q6IQ55 1/20 0.40

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
SCHEMBL1233117 0.89 F9 (0.66) F9F11F7F10CYP2C9
SCHEMBL1232703 0.80 F9 (0.63) F9F11F7F10CYP2C9
SCHEMBL1232807 0.80 F9 (0.53) F9F11F7F10CYP2C9
SCHEMBL6918977 0.73 F9 (0.77) F9F11F7F10CYP2C9
SCHEMBL6920180 0.70 F9 (0.52) F9F11F7F10CYP2C9
SCHEMBL6488855 0.70 JAK2 (0.72) SGK1KDR
SCHEMBL6919815 0.70 F9 (0.53) F9F11F7F10CYP2C9
SCHEMBL1232547 0.70 F9 (0.67) F9F11F7F10CYP2C9
SCHEMBL1232274 0.69 F9 (1.00) F9F11F7F10CYP2C9
SCHEMBL6919856 0.68 F9 (0.58) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609676-B2 4, 5, 6-trisubstituted pyrimidine derivatives as factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2013-12-17 US disclosed
EP-2462123-B1 4,5,6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2013-10-02 EP disclosed
EP-2462123-B1 4,5,6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2013-10-02 EP disclosed
EP-2462123-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS Schering Corporation (US) 2012-06-13 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
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
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.