SCHEMBL14772002

SCHEMBL14772002

COc1ccc(CNC(=O)c2cnc(SC)nc2Cc2cccc(NC(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.49
BTK Q06187 1/20 0.45
CNR2 P34972 3/20 0.45
THRB P10828 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
HPGD P15428 1/20 0.43
RXFP1 Q9HBX9 3/20 0.42
LMNA P02545 1/20 0.42
STAMBP O95630 1/20 0.41
COPS5 Q92905 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
SLC2A1 P11166 2/20 0.41

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
SCHEMBL14769185 0.92 RXFP1 (0.51) POLBMAPTTHRBSIRT2HPGD
SCHEMBL14772001 0.88 BTK (0.44) POLBMAPTBTKCNR2SIRT2
SCHEMBL21110442 0.86 BTK (0.60) POLBMAPTBTKCNR2THRB
SCHEMBL14772003 0.86 CNR2 (0.59) POLBMAPTBTKCNR2SLC2A1
SCHEMBL12519591 0.86 ALDH1A1 (0.49) POLBMAPTBTKCNR2THRB
SCHEMBL14769152 0.85 KMT2A (0.47) POLBMAPTTHRBSIRT2RXFP1
SCHEMBL14769183 0.84 SIRT2 (0.46) MAPTTHRBSIRT2RXFP1LMNA
SCHEMBL14769153 0.82 HTT (0.51) POLBMAPTSIRT2HPGDLMNA
SCHEMBL14769227 0.82 CNR2 (0.57) POLBMAPTBTKCNR2RXFP1
SCHEMBL14769164 0.80 AURKA (0.41) POLBMAPTSIRT2HPGDRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710222-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 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-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 POLB 3726/4885MAPT 1888/4885BTK 594/4885

“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.