SCHEMBL757342

SCHEMBL757342

O=C(NCCN1CCOCC1)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.73
KDM4E B2RXH2 2/20 0.70
USP2 O75604 2/20 0.70
ALDH1A1 P00352 2/20 0.70
HPGD P15428 2/20 0.70
TSHR P16473 2/20 0.70
MAPK1 P28482 2/20 0.70
HSD17B10 Q99714 2/20 0.70
HTT P42858 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
MAPT P10636 1/20 0.65
LCK P06239 3/20 0.62
TNK2 Q07912 3/20 0.62
AURKB Q96GD4 4/20 0.61

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
SCHEMBL759053 0.94 AURKA (0.78) AURKAKDM4EUSP2ALDH1A1HPGD
SCHEMBL757722 0.92 AURKA (0.73) AURKAKDM4EUSP2ALDH1A1HPGD
SCHEMBL759112 0.92 AURKA (0.73) AURKAAURKB
SCHEMBL763140 0.92 AURKA (0.60) AURKAKDM4EUSP2ALDH1A1HPGD
SCHEMBL757779 0.91 AURKA (0.78) AURKAKDM4EUSP2ALDH1A1HPGD
SCHEMBL757804 0.90 AURKA (0.72) AURKAKDM4EUSP2ALDH1A1HPGD
SCHEMBL759002 0.88 AURKA (0.79) AURKAKDM4EUSP2ALDH1A1HPGD
SCHEMBL757483 0.87 AURKA (0.68) AURKAKDM4EUSP2ALDH1A1HPGD
SCHEMBL757445 0.87 AURKA (0.79) AURKALCKTNK2AURKB
SCHEMBL763918 0.87 AURKA (0.75) AURKAAURKB

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 6 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-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
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 2/4885KDM4E 1303/4885USP2 4192/4885

“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.