SCHEMBL6320602

SCHEMBL6320602

COc1cc(Nc2ncc(-c3cnc4ccc(O)cc4c3)c(N)n2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.51
AURKA O14965 2/20 0.51
AURKB Q96GD4 2/20 0.51
IGF1R P08069 7/20 0.47
BRAF P15056 2/20 0.46
SYK P43405 1/20 0.45
FYN P06241 4/20 0.45
TGFBR1 P36897 2/20 0.45
CHEK2 O96017 1/20 0.45
EGFR P00533 1/20 0.44
INSR P06213 1/20 0.44
MET P08581 1/20 0.44
CDK2 P24941 1/20 0.44
TEK Q02763 1/20 0.44
PTK2 Q05397 1/20 0.43
BMPR1A P36894 1/20 0.43
ACVRL1 P37023 1/20 0.43
ACVR1 Q04771 1/20 0.43
PRKD3 O94806 1/20 0.42
PRKCG P05129 1/20 0.42

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
SCHEMBL6312611 0.89 KDR (0.52) KDRAURKAAURKBIGF1RBRAF
SCHEMBL2205447 0.87 IGF1R (0.63) KDRAURKAAURKBIGF1REGFR
SCHEMBL27997729 0.83 FYN (0.59) KDRAURKAAURKBIGF1RBRAF
SCHEMBL6314234 0.81 KDR (0.57) KDRAURKAAURKBIGF1RSYK
SCHEMBL6312589 0.81 IGF1R (0.59) KDRAURKAAURKBIGF1RBRAF
SCHEMBL6317955 0.79 IGF1R (0.57) KDRAURKAAURKBIGF1RSYK
SCHEMBL6311694 0.79 KDR (0.52) KDRAURKAAURKBIGF1RSYK
SCHEMBL6312056 0.77 IGF1R (0.60) KDRAURKAIGF1REGFRINSR
SCHEMBL6318895 0.76 IGF1R (0.59) KDRAURKAAURKBIGF1RBRAF
SCHEMBL42217 0.74 JAK2 (0.47) KDRIGF1RBRAFEGFRCDK2

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 2 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 disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 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-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.