SCHEMBL759860

SCHEMBL759860

CN(C)CCCN1Cc2sc3ncnc(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)c3c2C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.52
TNNI3K Q59H18 2/20 0.48
PTGS2 P35354 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
AURKB Q96GD4 8/20 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 0.93 TNNI3K (0.56) AURKATNNI3KPTGS2MEN1KMT2A
SCHEMBL757526 0.83 AURKA (0.55) AURKAAURKB
SCHEMBL757525 0.83 EGFR (0.51) AURKAPTGS2MEN1KMT2ARXFP1
SCHEMBL735116 0.79 PTGS2 (0.70) AURKAPTGS2MEN1KMT2AAURKB
SCHEMBL759953 0.78 PTGS2 (0.69) AURKAPTGS2MEN1KMT2AAURKB
SCHEMBL757854 0.78 PTGS2 (0.69) AURKAPTGS2MEN1KMT2AAURKB
SCHEMBL759865 0.78 AURKA (0.53) AURKAAURKB
SCHEMBL759096 0.77 MKNK1 (0.51) AURKAPTGS2MEN1KMT2ARXFP1
SCHEMBL759858 0.76 PTGS2 (0.56) AURKATNNI3KPTGS2AURKB
SCHEMBL763076 0.74 PTPN2 (0.40) AURKAMEN1KMT2A

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 AURKA 2/4885TNNI3K 245/4885PTGS2 4714/4885

“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.