SCHEMBL8513009

SCHEMBL8513009

Cc1ccc(-c2ncnc(Nc3ccc4c(c3)CNC4)c2O)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F9 P00740 11/20 0.69
F11 P03951 5/20 0.64
F7 P08709 4/20 0.64
F10 P00742 3/20 0.64
CYP2C9 P11712 1/20 0.58
FGFR1 P11362 1/20 0.38
CD38 P28907 1/20 0.37
MET P08581 1/20 0.37
KDR P35968 1/20 0.37
EGFR P00533 2/20 0.36
BTK Q06187 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL6918147 0.82 F9 (0.46) F9F11F7F10CYP2C9
SCHEMBL6919566 0.81 F9 (1.00) F9F11F7F10CYP2C9
SCHEMBL1232535 0.81 F9 (0.78) F9F11F7F10CYP2C9
SCHEMBL1232122 0.81 F9 (0.85) F9F11F7F10CYP2C9
SCHEMBL15291865 0.80 F9 (0.59) F9F11F7F10CYP2C9
SCHEMBL9607703 0.79 F9 (0.66) F9F11F7F10CYP2C9
SCHEMBL1231101 0.79 F9 (0.71) F9F11F7F10CYP2C9
SCHEMBL1233303 0.78 F9 (0.59) F9F11F7F10CYP2C9
SCHEMBL6918463 0.77 F9 (0.76) F9F11F7F10CYP2C9
SCHEMBL1232242 0.77 F9 (0.61) 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 6 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
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

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.