SCHEMBL6479734

SCHEMBL6479734

CCC(=O)Nc1cccc2[nH]c(-c3cn[nH]c3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
PARP14 Q460N5 2/20 0.46
AURKA O14965 3/20 0.46
CCNA2 P20248 3/20 0.46
CDK2 P24941 3/20 0.46
TTK P33981 3/20 0.46
FYN P06241 2/20 0.40
ITK Q08881 3/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40

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
SCHEMBL5820546 0.92 PARP14 (0.47) PDE10APARP14AURKACCNA2CDK2
SCHEMBL5759467 0.88 KDM4E (0.44) AURKACCNA2CDK2TTKFYN
SCHEMBL5789255 0.86 PARP14 (0.50) PARP14AURKACCNA2CDK2TTK
SCHEMBL5754049 0.84 MDM4 (0.41) AURKACCNA2CDK2TTKFYN
SCHEMBL5820020 0.82 NTRK1 (0.49) PARP14AURKACCNA2CDK2TTK
SCHEMBL6481076 0.77 PDE10A (0.51) PDE10AAURKACCNA2CDK2TTK
SCHEMBL5755889 0.76 PDE10A (0.50) PDE10AAURKACCNA2CDK2TTK
SCHEMBL5815787 0.70 KCNQ2 (0.49) PDE10AAURKACCNA2CDK2TTK
SCHEMBL6480489 0.70 ITK (0.46) PDE10AAURKACCNA2CDK2TTK
SCHEMBL20887145 0.68 PARP14 (0.82) PARP14MAPT

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 PDE10A 885/4885PARP14 973/4885AURKA 136/4885

“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.