SCHEMBL764237

SCHEMBL764237

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.49
PTPN2 P17706 10/20 0.49
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 3/20 0.42
PTPRA P18433 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL763076 0.93 PTPN2 (0.40) PTPN1PTPN2MEN1KMT2AKDM4E
SCHEMBL763940 0.87 MAPK10 (0.39) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL764241 0.84 MEN1 (0.39) PTPN1PTPN2MEN1KMT2AKDM4E
SCHEMBL764304 0.78 CXCR2 (0.46) PTPN1PTPN2MEN1KMT2AALDH1A1
SCHEMBL759229 0.76 TNNI3K (0.56) MEN1KMT2A
SCHEMBL764238 0.72 HRH3 (0.36) MEN1KMT2ATP53ALOX15
SCHEMBL759860 0.70 AURKA (0.52) MEN1KMT2A
SCHEMBL17006324 0.68 KCNH2 (0.76) PTPN1PTPN2MEN1KMT2AKDM4E
SCHEMBL764302 0.67 FPR2 (0.43) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL16961589 0.67 KCNH2 (0.78) MEN1KMT2AKDM4EALDH1A1MAPT

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 PTPN1 3339/4885PTPN2 3742/4885MEN1 1955/4885

“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.