SCHEMBL735116

SCHEMBL735116

O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3sc4c(c23)CCCC4)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.70
CSNK2A2 P19784 1/20 0.63
CSNK2B P67870 1/20 0.63
CSNK2A1 P68400 1/20 0.63
KDR P35968 3/20 0.61
PDGFRB P09619 2/20 0.61
KIT P10721 2/20 0.61
SRC P12931 2/20 0.61
FLT1 P17948 2/20 0.61
FLT4 P35916 2/20 0.61
EGFR P00533 2/20 0.61
PDE5A O76074 1/20 0.60
AURKA O14965 4/20 0.57
HPGD P15428 3/20 0.56
MAPK1 P28482 2/20 0.56
MAPT P10636 2/20 0.56
TSHR P16473 2/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL757854 0.99 PTGS2 (0.69) PTGS2CSNK2A2CSNK2BCSNK2A1KDR
SCHEMBL759953 0.99 PTGS2 (0.69) PTGS2CSNK2A2CSNK2BCSNK2A1KDR
SCHEMBL759858 0.88 PTGS2 (0.56) PTGS2CSNK2A2CSNK2BCSNK2A1KDR
SCHEMBL759096 0.83 MKNK1 (0.51) PTGS2EGFRAURKAMAPTMEN1
SCHEMBL759229 0.81 TNNI3K (0.56) PTGS2EGFRAURKAMEN1KMT2A
SCHEMBL757525 0.81 EGFR (0.51) PTGS2EGFRAURKAMEN1KMT2A
SCHEMBL759362 0.80 LMNA (0.63) PTGS2CSNK2A2CSNK2BCSNK2A1PDE5A
SCHEMBL759223 0.80 AURKA (0.67) AURKAAURKB
SCHEMBL759224 0.80 EGFR (0.58) EGFRAURKAAURKB
SCHEMBL759860 0.79 AURKA (0.52) PTGS2AURKAMEN1KMT2AAURKB

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 9 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
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-8138194-B2 Fused bicyclic pyrimidine compounds as aurora kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2012-03-20 US 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
US-20090275533-A1 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 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 4714/4885CSNK2A2 662/4885CSNK2B 416/4885

“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.