SCHEMBL5752672

SCHEMBL5752672

CC(C)NC(=O)c1cccc2[nH]c(-c3cc[nH]n3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 1/20 0.41
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NLRP3 Q96P20 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
AR P10275 1/20 0.38
ALOX5 P09917 1/20 0.36
CDK1 P06493 1/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
DYRK1A Q13627 2/20 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
SCHEMBL5757017 0.88 HDAC11 (0.43) HDAC11KDM4ECYP1A2ALDH1A1HPGD
SCHEMBL5756899 0.86 KMT2A (0.41) HDAC11KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL5754686 0.85 KDR (0.43) HDAC11KDM4ECYP1A2KDRMAPT
SCHEMBL5756543 0.83 HDAC11 (0.39) HDAC11KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL5755838 0.82 BRAF (0.44) HDAC11KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL5755265 0.82 PBRM1 (0.40) HDAC11KDM4EKMT2ACYP1A2MEN1
SCHEMBL5757328 0.82 L3MBTL1 (0.46) KDM4EKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL6490263 0.82 HDAC11 (0.41) HDAC11KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL5757543 0.82 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1HPGDADORA2A
SCHEMBL5752743 0.81 PARP1 (0.40) HDAC11KDM4EALDH1A1DYRK1A

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 1178/4885KDM4E 765/4885KMT2A 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.