SCHEMBL5759216

SCHEMBL5759216

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.51
HDAC6 Q9UBN7 1/20 0.44
CHEK1 O14757 1/20 0.43
CDK7 P50613 1/20 0.43
RIPK1 Q13546 1/20 0.41
PLK1 P53350 1/20 0.40
PLAU P00749 1/20 0.40
RET P07949 6/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
KDR P35968 3/20 0.39
IKBKB O14920 2/20 0.38
CHEK2 O96017 3/20 0.38
IDH1 O75874 1/20 0.38
AURKA O14965 1/20 0.38

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
SCHEMBL5755010 0.90 ITK (0.62) ITKRETKDR
SCHEMBL5755558 0.88 HDAC6 (0.48) ITKHDAC6RIPK1IKBKB
SCHEMBL5755542 0.86 RIPK1 (0.44) ITKHDAC6RIPK1IKBKB
SCHEMBL6480600 0.86 CHEK1 (0.43) HDAC6CHEK1CDK7
SCHEMBL5756790 0.84 RIPK1 (0.46) ITKHDAC6RIPK1
SCHEMBL5754444 0.84 HRH3 (0.46) ITKHDAC6PLAUCHEK2
SCHEMBL5752904 0.83 ITK (0.55) ITKHDAC6KDR
SCHEMBL6486561 0.83 ITK (0.41) ITKHDAC6IKBKB
SCHEMBL5754329 0.83 KMT2A (0.45) ITKHDAC6IKBKBIDH1
SCHEMBL5757708 0.83 JAK2 (0.49) ITKPLAU

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 ITK 392/4885HDAC6 739/4885CHEK1 242/4885

“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.