SCHEMBL763940

SCHEMBL763940

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.39
KMT2A Q03164 6/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE4D Q08499 2/20 0.37
HPGD P15428 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37

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 0.87 PTPN1 (0.49) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL763076 0.82 PTPN2 (0.40) KMT2AALDH1A1KDM4EPOLBMEN1
SCHEMBL764304 0.78 CXCR2 (0.46) KMT2AALDH1A1MEN1MAPTTLR2
SCHEMBL757525 0.76 EGFR (0.51) KMT2AMEN1RXFP1
SCHEMBL764302 0.67 FPR2 (0.43) ALDH1A1KDM4EGAACYP1A2CYP3A4
SCHEMBL763388 0.66 FPR2 (0.43) KMT2AALDH1A1KDM4EGAAMEN1
SCHEMBL13399926 0.65 EGFR (0.43) MAPK10
SCHEMBL763384 0.64 CNR1 (0.46) ALDH1A1KDM4EPOLBMAPTCYP1A2
SCHEMBL12955262 0.64 MAPK9 (0.44) MAPK10KMT2AALDH1A1KDM4ENPSR1
SCHEMBL13399994 0.62 FPR2 (0.58) KMT2AALDH1A1KDM4EMEN1MAPT

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 MAPK10 2337/4885KMT2A 1082/4885ALDH1A1 3198/4885

“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.