SCHEMBL5753144

SCHEMBL5753144

O=C(NCCNc1ccccc1)c1ccc2[nH]c(-c3cc[nH]n3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
ITK Q08881 8/20 0.45
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC4 P56524 1/20 0.41
ROCK2 O75116 1/20 0.39
INSR P06213 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
IKBKB O14920 2/20 0.37
FLT3 P36888 1/20 0.37
NPC1 O15118 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL5756210 0.92 ITK (0.54) MAPK1ITKHDAC1HDAC6HDAC4
SCHEMBL5757708 0.85 JAK2 (0.49) ITKHDAC1KDM4EALDH1A1HPGD
SCHEMBL5755623 0.84 ITK (0.55) MAPK1ITKHDAC1INSRCCNE1
SCHEMBL5756790 0.84 RIPK1 (0.46) ITKHDAC1HDAC6KDM4EALDH1A1
SCHEMBL6489873 0.83 ITK (0.41) MAPK1ITKHDAC1HDAC6INSR
SCHEMBL5755525 0.83 KDM4E (0.49) ITKHDAC1HDAC6HDAC4KDM4E
SCHEMBL5752904 0.83 ITK (0.55) ITKHDAC6KDM4EALDH1A1HPGD
SCHEMBL5753964 0.82 KDM4E (0.46) ITKHDAC1HDAC6HDAC4KDM4E
SCHEMBL5753446 0.82 KDM4E (0.48) ITKHDAC1HDAC6HDAC4KDM4E
SCHEMBL5755542 0.82 RIPK1 (0.44) ITKHDAC6ROCK2INSRCCNE1

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 MAPK1 204/4885ITK 392/4885HDAC1 876/4885

“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.