SCHEMBL6479947

SCHEMBL6479947

O=C(NCc1ccccc1)n1nccc1-c1cc2ccccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIP5K1C O60331 1/20 0.49
▸ IDO1 P14902 2/20 0.45
▸ ITK Q08881 3/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ ASAH1 Q13510 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ MPO P05164 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ INSR P06213 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39

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
SCHEMBL6479952 0.71 ITK (0.57) PIP5K1CITKCNR2
SCHEMBL2735969 0.68 CA12 (0.72) IDO1
SCHEMBL5755119 0.68 HSP90AA1 (0.57) PIP5K1CITKINSRCCNE1CDK2
SCHEMBL17680257 0.68 COMT (0.49) IDO1ITKMAPT
SCHEMBL1853621 0.65 ALDH1A1 (0.48) IDO1
SCHEMBL34468710 0.65 KDM4E (0.64) CNR2
SCHEMBL3992778 0.64 IDO1 (0.56) IDO1MAPT
SCHEMBL24471488 0.63 IDO1 (0.54) IDO1MAPT
SCHEMBL27427552 0.63 CA12 (0.56) IDO1
SCHEMBL1260046 0.62 ASAH1 (0.48) ASAH1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PIP5K1C 70/4885IDO1 234/4885ITK 392/4885

“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.

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