SCHEMBL21110447

SCHEMBL21110447

C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OC)c3)ncc2C(=O)NCc2ccc(OC)cc2)c1

nearest known ligand 0.91

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.91
EGFR P00533 13/20 0.72
ITK Q08881 5/20 0.72
JAK3 P52333 1/20 0.67
CNR2 P34972 1/20 0.58

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
SCHEMBL12519472 0.95 BTK (1.00) BTKEGFRITKJAK3
SCHEMBL12519600 0.90 BTK (0.74) BTKEGFRITKJAK3CNR2
SCHEMBL14771996 0.89 BTK (0.72) BTKEGFRITKJAK3CNR2
SCHEMBL21110446 0.87 BTK (0.69) BTKEGFRITKCNR2
SCHEMBL21110443 0.87 BTK (0.69) BTKEGFRITKJAK3CNR2
SCHEMBL13498133 0.86 EGFR (0.82) BTKEGFRITK
SCHEMBL13498142 0.85 ITK (0.71) BTKEGFRITKCNR2
SCHEMBL14769136 0.85 BTK (0.83) BTKEGFRITK
SCHEMBL14769165 0.84 BTK (0.66) BTKEGFRITKJAK3CNR2
SCHEMBL12518559 0.84 EGFR (1.00) BTKEGFRITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 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 (3 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-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK BTK 261/4885EGFR 460/4885ITK 317/4885
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 BTK 594/4885EGFR 1981/4885ITK 2697/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK BTK 261/4885EGFR 460/4885ITK 317/4885

“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.