SCHEMBL3581086

SCHEMBL3581086

Cc1ccc(NC=C2C(=O)Nc3ccc(Cc4ccc(C(N)=O)cc4)cc32)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.39
AKT2 P31751 8/20 0.38
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
RET P07949 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
PDK1 Q15118 1/20 0.37
TGM2 P21980 2/20 0.37
S1PR4 O95977 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
S1PR1 P21453 1/20 0.37
NTSR1 P30989 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3579184 0.92 AKT2 (0.44) PDPK1AKT2PDK1TGM2S1PR4
SCHEMBL3581088 0.89 RET (0.40) PDPK1AKT2IDO1TDO2RET
SCHEMBL3575665 0.88 NOX4 (0.42) PDPK1RETHSP90AA1PSEN1PSEN2
SCHEMBL3581636 0.87 PDPK1 (0.43) PDPK1AKT2IDO1TDO2CCNB2
SCHEMBL3579187 0.85 ALK (0.39) PDPK1AKT2IDO1TDO2RET
SCHEMBL4759184 0.85 AKT2 (0.43) PDPK1AKT2PDK1TGM2S1PR4
SCHEMBL4757664 0.84 PDPK1 (0.46) PDPK1AKT2CCNB2CDK1CCNB1
SCHEMBL3572328 0.84 PDPK1 (0.46) PDPK1AKT2CCNB2CDK1CCNB1
SCHEMBL5432249 0.83 GSK3B (0.47) PDPK1AKT2IDO1TDO2PDK1
SCHEMBL4705861 0.83 GSK3B (0.47) PDPK1AKT2IDO1TDO2PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US claimed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed

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-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 PDPK1 86/4885AKT2 168/4885IDO1 1754/4885

“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.