SCHEMBL5754329

SCHEMBL5754329

CC(C)CNC(=O)c1ccc2[nH]c(-c3cc[nH]n3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HPGD P15428 3/20 0.44
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
ITK Q08881 2/20 0.39
MLYCD O95822 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
PRSS12 P56730 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
IKBKB O14920 2/20 0.37
IDH1 O75874 1/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 1/20 0.37
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
SCHEMBL5759271 0.91 ITK (0.48) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL5755542 0.87 RIPK1 (0.44) KMT2AHDAC6ITKIKBKBMEN1
SCHEMBL5755558 0.86 HDAC6 (0.48) GAAHSD17B10HDAC6HPGDKDM4E
SCHEMBL5756790 0.85 RIPK1 (0.46) GAAHDAC6HPGDKDM4EITK
SCHEMBL5752904 0.84 ITK (0.55) KMT2AGAAHSD17B10HDAC6HPGD
SCHEMBL6486561 0.84 ITK (0.41) KMT2AGAAHSD17B10HDAC6KDM4E
SCHEMBL5759216 0.83 ITK (0.51) HDAC6ITKIKBKBIDH1
SCHEMBL5753446 0.83 KDM4E (0.48) KMT2AGAAHSD17B10HDAC6HPGD
SCHEMBL5755525 0.82 KDM4E (0.49) KMT2AHSD17B10HDAC6HPGDKDM4E
SCHEMBL5753964 0.81 KDM4E (0.46) HSD17B10HDAC6HPGDKDM4EITK

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.