SCHEMBL14769211

SCHEMBL14769211

COc1cccc(Nc2ncc(C(=O)NCc3ccc(C)cc3)c(Cc3cccc(N)c3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.60
MAPT P10636 3/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
BTK Q06187 4/20 0.51
EGFR P00533 2/20 0.47
BLK P51451 1/20 0.47
IGF1R P08069 1/20 0.47
ALK Q9UM73 1/20 0.47
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ROCK1 Q13464 1/20 0.45
ITK Q08881 1/20 0.45
SYK P43405 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL14771995 0.95 CNR2 (0.61) CNR2MAPTMEN1ALDH1A1POLB
SCHEMBL14769165 0.87 BTK (0.66) CNR2BTKEGFRITK
SCHEMBL14769227 0.86 CNR2 (0.57) CNR2MAPTMEN1ALDH1A1POLB
SCHEMBL14791272 0.86 CNR2 (0.58) CNR2MAPTMEN1ALDH1A1POLB
SCHEMBL14769180 0.85 CNR2 (0.55) CNR2MAPTMEN1ALDH1A1POLB
SCHEMBL21110446 0.83 BTK (0.69) CNR2MAPTMEN1ALDH1A1POLB
SCHEMBL14771996 0.82 BTK (0.72) CNR2BTKEGFRBLKITK
SCHEMBL14772003 0.81 CNR2 (0.59) CNR2MAPTMEN1ALDH1A1POLB
SCHEMBL12519590 0.81 CNR2 (0.60) CNR2MAPTMEN1ALDH1A1POLB
SCHEMBL14769194 0.78 BTK (0.62) CNR2BTKEGFRBLKCYP1A2

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 238/4885MAPT 1888/4885MEN1 606/4885

“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.