SCHEMBL759858

SCHEMBL759858

O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3sc4c(c23)CCNC4)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.56
KDR P35968 3/20 0.55
AURKA O14965 8/20 0.52
MET P08581 1/20 0.50
AURKB Q96GD4 2/20 0.49
EGFR P00533 1/20 0.49
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49
SRC P12931 1/20 0.49
FLT1 P17948 1/20 0.49
FLT4 P35916 1/20 0.49
CSNK2A2 P19784 2/20 0.48
CSNK2B P67870 2/20 0.48
CSNK2A1 P68400 2/20 0.48
TNNI3K Q59H18 3/20 0.48
PDE5A O76074 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL735116 0.88 PTGS2 (0.70) PTGS2KDRAURKAAURKBEGFR
SCHEMBL757854 0.87 PTGS2 (0.69) PTGS2KDRAURKAAURKBEGFR
SCHEMBL759953 0.87 PTGS2 (0.69) PTGS2KDRAURKAAURKBEGFR
SCHEMBL759096 0.79 MKNK1 (0.51) PTGS2AURKAEGFR
SCHEMBL757525 0.77 EGFR (0.51) PTGS2AURKAAURKBEGFR
SCHEMBL759229 0.77 TNNI3K (0.56) PTGS2AURKAAURKBEGFRTNNI3K
SCHEMBL759860 0.76 AURKA (0.52) PTGS2AURKAAURKBTNNI3K
SCHEMBL759224 0.74 EGFR (0.58) AURKAAURKBEGFR
SCHEMBL759223 0.72 AURKA (0.67) AURKAAURKB
SCHEMBL13399828 0.72 AURKA (0.60) KDRAURKAAURKB

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-2276346-B1 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NAT HEALTH RESEARCH INSTITUTES (TW) 2016-11-23 EP disclosed
US-8138194-B2 Fused bicyclic pyrimidine compounds as aurora kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2012-03-20 US disclosed
US-20090275533-A1 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 US disclosed
WO-2009134658-A2 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 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-20090275533-A1 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS AURKB, AURKA, AURKC PTGS2 4714/4885KDR 1920/4885AURKA 2/4885

“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.