SCHEMBL764241

SCHEMBL764241

CNc1oc2c(c1C(=N)NCCc1ccc(NC(=O)Nc3ccccc3)cc1)CCN(CCCN(C)C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
AURKA O14965 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
ABCB1 P08183 3/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
NAMPT P43490 1/20 0.36
MAPT P10636 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL764238 0.87 HRH3 (0.36) MEN1TP53ALOX15KMT2AHTR1A
SCHEMBL764237 0.84 PTPN1 (0.49) MEN1TP53ALOX15KMT2AMAPT
SCHEMBL764302 0.82 FPR2 (0.43) AURKACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL763076 0.78 PTPN2 (0.40) MEN1TP53KMT2AHTR1ADRD2
SCHEMBL763940 0.72 MAPK10 (0.39) MEN1KMT2AHRH3NAMPTMAPT
SCHEMBL757526 0.70 AURKA (0.55) AURKA
SCHEMBL759229 0.68 TNNI3K (0.56) MEN1KMT2AAURKA
SCHEMBL763388 0.66 FPR2 (0.43) MEN1KMT2AHTR1ADRD2AURKA
SCHEMBL764304 0.63 CXCR2 (0.46) MEN1TP53KMT2AMAPTPTPN2
SCHEMBL764012 0.62 AURKA (0.49) MEN1TP53KMT2AAURKAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MEN1 1955/4885TP53 287/4885ALOX15 4764/4885

“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.