SCHEMBL757525

SCHEMBL757525

CN(C)CCC(=O)N1CCc2c(sc3ncnc(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)c23)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.51
PTGS2 P35354 1/20 0.48
AURKA O14965 8/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
AURKB Q96GD4 2/20 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
SCHEMBL759229 0.87 TNNI3K (0.56) EGFRPTGS2AURKAMEN1KMT2A
SCHEMBL759096 0.86 MKNK1 (0.51) EGFRPTGS2AURKAMEN1KMT2A
SCHEMBL759242 0.84 AURKA (0.55) AURKAAURKB
SCHEMBL759860 0.83 AURKA (0.52) PTGS2AURKAMEN1KMT2ARXFP1
SCHEMBL735116 0.81 PTGS2 (0.70) EGFRPTGS2AURKAMEN1KMT2A
SCHEMBL757854 0.80 PTGS2 (0.69) EGFRPTGS2AURKAMEN1KMT2A
SCHEMBL759953 0.80 PTGS2 (0.69) EGFRPTGS2AURKAMEN1KMT2A
SCHEMBL759858 0.77 PTGS2 (0.56) EGFRPTGS2AURKAAURKB
SCHEMBL13399926 0.76 EGFR (0.43) EGFRAURKAAURKB
SCHEMBL763940 0.76 MAPK10 (0.39) MEN1KMT2ARXFP1

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 EGFR 1351/4885PTGS2 4714/4885AURKA 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.