SCHEMBL6311694

SCHEMBL6311694

COc1cc(Nc2ncc(-c3ccc4nc(C)ccc4c3)c(N)n2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.52
AURKA O14965 2/20 0.52
AURKB Q96GD4 2/20 0.52
SYK P43405 1/20 0.50
IGF1R P08069 6/20 0.45
CDK2 P24941 3/20 0.43
EGFR P00533 3/20 0.43
JAK2 O60674 2/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PTK2B Q14289 1/20 0.43
DHFR P00374 1/20 0.43
PRKD3 O94806 2/20 0.43
PRKCG P05129 2/20 0.43
PRKCB P05771 2/20 0.43
LCK P06239 2/20 0.43
PRKCA P17252 2/20 0.43
PRKCH P24723 2/20 0.43
PRKCI P41743 2/20 0.43

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
SCHEMBL6312589 0.86 IGF1R (0.59) KDRAURKAAURKBIGF1RCDK2
SCHEMBL6317955 0.84 IGF1R (0.57) KDRAURKAAURKBSYKIGF1R
SCHEMBL2205447 0.81 IGF1R (0.63) KDRAURKAAURKBIGF1RCDK2
SCHEMBL6318895 0.81 IGF1R (0.59) KDRAURKAAURKBSYKIGF1R
SCHEMBL6314234 0.80 KDR (0.57) KDRAURKAAURKBSYKIGF1R
SCHEMBL6312611 0.80 KDR (0.52) KDRAURKAAURKBSYKIGF1R
SCHEMBL6320602 0.79 KDR (0.51) KDRAURKAAURKBSYKIGF1R
SCHEMBL27997729 0.78 FYN (0.59) KDRAURKAAURKBSYKIGF1R
SCHEMBL6419728 0.77 KDR (0.49) KDRAURKAAURKBSYKIGF1R
SCHEMBL6319664 0.76 IGF1R (0.53) KDRAURKAAURKBIGF1RCDK2

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-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT KDR 2148/4885AURKA 2306/4885AURKB 1715/4885

“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.