SCHEMBL14769185

SCHEMBL14769185

CSc1ncc(C(=O)NCc2ccc(C)cc2)c(Cc2cccc(NC(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.50
THRB P10828 2/20 0.46
LMNA P02545 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 1/20 0.40
TP53 P04637 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
SCHEMBL14772002 0.92 POLB (0.53) RXFP1MAPTPOLBTHRBLMNA
SCHEMBL14769164 0.88 AURKA (0.41) RXFP1MAPTPOLBLMNASIRT2
SCHEMBL14769152 0.86 KMT2A (0.47) RXFP1MAPTPOLBTHRBLMNA
SCHEMBL14769183 0.85 SIRT2 (0.46) RXFP1MAPTTHRBLMNASIRT2
SCHEMBL13498141 0.85 ALDH1A1 (0.52) RXFP1MAPTPOLBTHRBLMNA
SCHEMBL14769153 0.84 HTT (0.51) MAPTPOLBLMNASIRT2HPGD
SCHEMBL14769227 0.83 CNR2 (0.57) RXFP1MAPTPOLBLMNAMEN1
SCHEMBL14772001 0.80 BTK (0.44) MAPTPOLBLMNASIRT2AURKA
SCHEMBL21110442 0.78 BTK (0.60) RXFP1MAPTPOLBTHRBLMNA
SCHEMBL14772003 0.78 CNR2 (0.59) MAPTPOLBMEN1KMT2A

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 RXFP1 4513/4885MAPT 1888/4885POLB 3726/4885

“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.