SCHEMBL14772003

SCHEMBL14772003

COc1ccc(CNC(=O)c2cnc(Nc3cccc(OC)c3)nc2Cc2cccc(NC(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.59
BTK Q06187 3/20 0.54
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
EGFR P00533 3/20 0.46
SLC2A1 P11166 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SYK P43405 1/20 0.44
ITK Q08881 2/20 0.43

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
SCHEMBL14769227 0.95 CNR2 (0.57) CNR2BTKMAPTMEN1ALDH1A1
SCHEMBL14769135 0.89 CNR2 (0.53) CNR2BTKMAPTMEN1ALDH1A1
SCHEMBL21110443 0.88 BTK (0.69) CNR2BTKMAPTMEN1ALDH1A1
SCHEMBL12519584 0.88 CNR2 (0.58) CNR2BTKMAPTMEN1ALDH1A1
SCHEMBL14771996 0.87 BTK (0.72) CNR2BTKEGFRITK
SCHEMBL14772002 0.86 POLB (0.53) CNR2BTKMAPTPOLBSLC2A1
SCHEMBL14771995 0.86 CNR2 (0.61) CNR2BTKMAPTMEN1ALDH1A1
SCHEMBL14772001 0.85 BTK (0.44) CNR2BTKMAPTMEN1ALDH1A1
SCHEMBL12519750 0.83 BTK (0.77) CNR2BTKMAPTMEN1ALDH1A1
SCHEMBL14769212 0.83 CNR2 (0.57) CNR2BTKMAPTMEN1ALDH1A1

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 CNR2 238/4885BTK 594/4885MAPT 1888/4885

“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.