SCHEMBL6920163

SCHEMBL6920163

COc1c(Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)ncnc1-c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F9 P00740 4/20 0.43
JAK2 O60674 2/20 0.40
F11 P03951 2/20 0.39
F7 P08709 2/20 0.39
CYP2C9 P11712 1/20 0.39
F10 P00742 1/20 0.39
EGFR P00533 4/20 0.36
ABCB1 P08183 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
FLT4 P35916 2/20 0.36
PRMT1 Q99873 1/20 0.36
KDR P35968 1/20 0.36
TBK1 Q9UHD2 2/20 0.35
FGFR1 P11362 1/20 0.35
FLT3 P36888 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
SCHEMBL6919882 0.89 F9 (0.57) F9JAK2F11F7CYP2C9
SCHEMBL6918819 0.88 F9 (0.40) F9JAK2F11F7CYP2C9
SCHEMBL9607658 0.80 LMNA (0.47) F9F11F7CYP2C9F10
SCHEMBL23205455 0.75 GPR139 (0.48) ABCB1GPR139
SCHEMBL13542547 0.75 GPR139 (0.48) ABCB1GPR139
SCHEMBL25546987 0.75 GPR139 (0.48) ABCB1GPR139
SCHEMBL6918294 0.74 F9 (0.52) F9F11F7CYP2C9F10
SCHEMBL8509791 0.73 ROCK2 (0.44) F9F11F7F10TBK1
SCHEMBL9609068 0.72 BTK (0.51) JAK2TBK1
Acetic Acid SCHEMBL8528149 0.72 CTSK (0.48) ABCB1GPR139

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
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 1/4885JAK2 283/4885F11 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.