SCHEMBL5756543

SCHEMBL5756543

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 1/20 0.39
ITK Q08881 2/20 0.39
ALOX5 P09917 1/20 0.38
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
AURKA O14965 1/20 0.38
LCK P06239 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PABPC1 P11940 1/20 0.37
ALOX15 P16050 1/20 0.37
HDAC1 Q13547 1/20 0.36

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
SCHEMBL5752805 0.94 TSHR (0.47) HDAC11ALOX5MAPTL3MBTL1TSHR
SCHEMBL5754686 0.91 KDR (0.43) HDAC11ITKMAPTMAPK1AURKA
SCHEMBL5757543 0.90 KDM4E (0.46) ITKMAPTMAPK1AURKAKDR
SCHEMBL5756000 0.88 MEN1 (0.46) HDAC11MAPTHTTKDM4EALDH1A1
SCHEMBL6488444 0.87 HDAC1 (0.44) HDAC11ALOX5HTTKDM4EALDH1A1
SCHEMBL6479357 0.86 KDM4E (0.49) HDAC11HTTKDM4EALDH1A1HDAC1
SCHEMBL6479745 0.86 HDAC11 (0.38) HDAC11ITKMAPTMAPK1ABCG2
SCHEMBL5756899 0.86 KMT2A (0.41) HDAC11KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL6490263 0.86 HDAC11 (0.41) HDAC11ITKALOX5MAPTMAPK1
SCHEMBL5753543 0.85 MAPK1 (0.42) HDAC11ITKMAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648884-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2006-04-26 EP disclosed
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
WO-2005005414-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2005-01-20 WO 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 1178/4885ITK 392/4885ALOX5 3080/4885

“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.