SCHEMBL763076

SCHEMBL763076

CNc1sc2c(c1C(=N)NCCc1ccc(NC(=O)Nc3ccccc3)cc1)CN(CCCN(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 4/20 0.40
PTPN1 P18031 4/20 0.40
HRH3 Q9Y5N1 1/20 0.38
AURKA O14965 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
FPR2 P25090 1/20 0.36
KCNH2 Q12809 3/20 0.35
TLR2 O60603 1/20 0.34
CCR3 P51677 1/20 0.34

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
SCHEMBL764237 0.93 PTPN1 (0.49) PTPN2PTPN1KDM4EMEN1ALDH1A1
SCHEMBL763940 0.82 MAPK10 (0.39) HRH3KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL764241 0.78 MEN1 (0.39) PTPN2PTPN1HRH3AURKAKDM4E
SCHEMBL764304 0.76 CXCR2 (0.46) PTPN2PTPN1MEN1ALDH1A1MAPT
SCHEMBL759860 0.74 AURKA (0.52) AURKAMEN1KMT2A
SCHEMBL759229 0.70 TNNI3K (0.56) AURKAMEN1KMT2A
SCHEMBL764238 0.69 HRH3 (0.36) HRH3AURKAMEN1KMT2AHTR1A
SCHEMBL757526 0.67 AURKA (0.55) AURKA
SCHEMBL764302 0.67 FPR2 (0.43) AURKAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL763388 0.66 FPR2 (0.43) AURKAKDM4EMEN1ALDH1A1CYP1A2

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 PTPN2 3742/4885PTPN1 3339/4885HRH3 1086/4885

“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.