SCHEMBL6490263

SCHEMBL6490263

COC(=O)CNC(=O)c1cccc2[nH]c(-c3cc[nH]n3)cc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALOX5 P09917 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MCL1 Q07820 1/20 0.38
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
STAMBP O95630 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
EGLN1 Q9GZT9 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
ITK Q08881 1/20 0.35
VEGFA P15692 1/20 0.34
FLT1 P17948 1/20 0.34
EGLN3 Q9H6Z9 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
SCHEMBL5754686 0.88 KDR (0.43) HDAC11KDM4EMAPK1MAPTABCG2
SCHEMBL5757543 0.87 KDM4E (0.46) KDM4EALDH1A1GAAMAPK1MAPT
SCHEMBL5756543 0.86 HDAC11 (0.39) HDAC11ALOX5KDM4EALDH1A1GAA
SCHEMBL5756899 0.85 KMT2A (0.41) HDAC11MEN1KMT2AKDM4EALDH1A1
SCHEMBL5757017 0.84 HDAC11 (0.43) HDAC11KDM4EALDH1A1GAAMAPT
SCHEMBL5752805 0.84 TSHR (0.47) HDAC11ALOX5KDM4EALDH1A1GAA
SCHEMBL5756000 0.83 MEN1 (0.46) HDAC11MEN1KMT2AKDM4EALDH1A1
SCHEMBL5756316 0.83 KDM4E (0.53) MEN1KMT2AALOX5KDM4EMAPT
SCHEMBL5752672 0.82 HDAC11 (0.41) HDAC11MEN1KMT2AALOX5KDM4E
SCHEMBL6488444 0.82 HDAC1 (0.44) HDAC11MEN1KMT2AALOX5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 HDAC11 1178/4885MEN1 2784/4885KMT2A 1158/4885

“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.