SCHEMBL6919667

SCHEMBL6919667

COc1c(Nc2ccc3c(c2)C(=O)NC3)ncnc1-c1ccc(C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 6/20 0.63
MKNK1 Q9BUB5 4/20 0.43
F11 P03951 2/20 0.43
F7 P08709 2/20 0.43
F10 P00742 1/20 0.43
CLK4 Q9HAZ1 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
FYN P06241 1/20 0.41
EGFR P00533 3/20 0.39
ERBB2 P04626 1/20 0.39
MAPK1 P28482 2/20 0.38
BRAF P15056 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38

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
SCHEMBL6919671 0.92 F9 (0.75) F9MKNK1F11F7F10
SCHEMBL1232122 0.86 F9 (0.85) F9MKNK1F11F7F10
SCHEMBL1233108 0.82 F9 (0.58) F9MKNK1F11F7F10
SCHEMBL6919566 0.78 F9 (1.00) F9MKNK1F11F7F10
SCHEMBL6918294 0.74 F9 (0.52) F9F11F7F10EGFR
SCHEMBL8513739 0.74 F9 (0.44) F9F11F7F10EGFR
SCHEMBL1233171 0.73 F9 (0.73) F9F11F7F10EGFR
SCHEMBL8509791 0.72 ROCK2 (0.44) F9MKNK1F11F7F10
SCHEMBL9607658 0.72 LMNA (0.47) F9F11F7F10EGFR
SCHEMBL9607640 0.71 F9 (0.40) F9F11F7F10EGFR

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 1/4885MKNK1 4319/4885F11 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.