SCHEMBL5756764

SCHEMBL5756764

CN(C)CCCNC(=O)c1ccc2cc(-c3cc[nH]n3)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ITK Q08881 7/20 0.49
TLR9 Q9NR96 2/20 0.46
TLR8 Q9NR97 2/20 0.46
TLR7 Q9NYK1 2/20 0.46
FYN P06241 1/20 0.43
OPRM1 P35372 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
POLB P06746 2/20 0.42
INSR P06213 4/20 0.42
CHUK O15111 2/20 0.42
MAPK8 P45983 2/20 0.42
CAMKK2 Q96RR4 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
NR4A1 P22736 1/20 0.42

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
SCHEMBL5755204 0.92 HPGD (0.53) HPGDKDM4EALDH1A1HSD17B10ITK
SCHEMBL5752622 0.89 ITK (0.50) HPGDKDM4EALDH1A1HSD17B10ITK
SCHEMBL5757665 0.89 ITK (0.52) HPGDKDM4EALDH1A1HSD17B10ITK
SCHEMBL5757838 0.89 ITK (0.49) HPGDKDM4EALDH1A1HSD17B10ITK
SCHEMBL5757315 0.86 ITK (0.53) HPGDKDM4EALDH1A1ITKINSR
SCHEMBL5757347 0.85 ITK (0.66) HPGDKDM4EALDH1A1HSD17B10ITK
SCHEMBL5756552 0.84 ITK (0.51) ITKINSRCCNE1CDK2
SCHEMBL6478720 0.81 ITK (0.48) ITKTLR7INSRCCNE1CDK2
SCHEMBL5759271 0.81 ITK (0.48) HPGDKDM4EHSD17B10ITKINSR
SCHEMBL6491253 0.81 ITK (0.50) KDM4EALDH1A1HSD17B10ITKINSR

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 HPGD 1550/4885KDM4E 765/4885ALDH1A1 2469/4885

“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.