SCHEMBL757804

SCHEMBL757804

O=C(Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1)Nc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.72
TNK2 Q07912 3/20 0.72
LCK P06239 2/20 0.72
KDM4E B2RXH2 2/20 0.63
USP2 O75604 2/20 0.63
ALDH1A1 P00352 2/20 0.63
HPGD P15428 2/20 0.63
TSHR P16473 2/20 0.63
MAPK1 P28482 2/20 0.63
HSD17B10 Q99714 2/20 0.63
HTT P42858 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
MAPT P10636 1/20 0.62
AURKB Q96GD4 2/20 0.60
EGFR P00533 1/20 0.59
SRC P12931 1/20 0.59
KDR P35968 1/20 0.59
ZAP70 P43403 1/20 0.59
JAK3 P52333 1/20 0.59

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
SCHEMBL759064 0.94 AURKA (0.69) AURKATNK2LCKKDM4EUSP2
SCHEMBL764292 0.93 LCK (0.80) AURKATNK2LCKAURKBEGFR
SCHEMBL757476 0.93 AURKA (0.74) AURKATNK2LCKAURKBEGFR
SCHEMBL759053 0.93 AURKA (0.78) AURKATNK2LCKKDM4EUSP2
SCHEMBL757483 0.92 AURKA (0.68) AURKATNK2LCKKDM4EUSP2
SCHEMBL757342 0.90 AURKA (0.73) AURKATNK2LCKKDM4EUSP2
SCHEMBL757779 0.90 AURKA (0.78) AURKATNK2LCKKDM4EUSP2
SCHEMBL757479 0.87 LCK (0.70) AURKATNK2LCKAURKBEGFR
SCHEMBL759002 0.87 AURKA (0.79) AURKATNK2LCKKDM4EUSP2
SCHEMBL759066 0.87 AURKA (0.69) AURKATNK2LCKAURKB

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 2/4885TNK2 193/4885LCK 503/4885

“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.