SCHEMBL5756899

SCHEMBL5756899

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.40
DYRK1A Q13627 4/20 0.40
GSK3B P49841 2/20 0.40
HDAC11 Q96DB2 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
JAK2 O60674 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
MAOB P27338 1/20 0.36
ALPL P05186 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
SCHEMBL5754686 0.88 KDR (0.43) HDAC11KDM4EJAK2ADRA1DADRA1A
SCHEMBL5752672 0.86 HDAC11 (0.41) KMT2ASMN1; SMN2MEN1DYRK1AHDAC11
SCHEMBL5756543 0.86 HDAC11 (0.39) GAASMN1; SMN2HDAC11KDM4EALDH1A1
SCHEMBL5757543 0.85 KDM4E (0.46) GAAHSD17B10SMN1; SMN2POLBKDM4E
SCHEMBL6490263 0.85 HDAC11 (0.41) KMT2AGAASMN1; SMN2MEN1HDAC11
SCHEMBL5757017 0.84 HDAC11 (0.43) GAAHSD17B10GSK3BHDAC11KDM4E
SCHEMBL5752805 0.84 TSHR (0.47) GAAHSD17B10SMN1; SMN2HDAC11KDM4E
SCHEMBL5756316 0.83 KDM4E (0.53) KMT2ASMN1; SMN2MEN1KDM4ETP53
SCHEMBL5756000 0.83 MEN1 (0.46) KMT2AHSD17B10MEN1POLBHDAC11
SCHEMBL6488444 0.82 HDAC1 (0.44) KMT2AHSD17B10MEN1POLBHDAC11

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 KMT2A 1158/4885GAA 2485/4885HSD17B10 3814/4885

“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.