SCHEMBL30306552

SCHEMBL30306552

Cc1cnc(Cl)nc1Nc1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.56
EGFR P00533 9/20 0.52
ITK Q08881 6/20 0.52
BRD4 O60885 2/20 0.52
BTK Q06187 3/20 0.48
JAK3 P52333 2/20 0.48
CDK1 P06493 1/20 0.46
SRC P12931 1/20 0.46
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
MET P08581 1/20 0.42
CYP17A1 P05093 1/20 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
SCHEMBL9923768 1.00 SYK (0.56) SYKEGFRITKBRD4BTK
SCHEMBL4180112 0.90 SYK (0.57) SYKEGFRBRD4BTKJAK3
SCHEMBL29537421 0.88 SYK (0.55) SYKEGFRITKBRD4CDK1
SCHEMBL19533541 0.88 SYK (0.55) SYKEGFRITKBRD4CDK1
SCHEMBL29537952 0.88 SYK (0.55) SYKEGFRITKBRD4BTK
SCHEMBL4166343 0.88 SYK (0.55) SYKEGFRITKBRD4BTK
SCHEMBL12518613 0.88 SYK (0.71) SYKEGFRITKBRD4MET
SCHEMBL24393210 0.87 SYK (0.54) SYKEGFRITKBRD4BTK
SCHEMBL29538047 0.87 SYK (0.54) SYKEGFRITKBRD4BTK
SCHEMBL13669998 0.86 EGFR (0.46) SYKEGFRITKBRD4BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 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-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT SYK 3137/4885EGFR 452/4885ITK 1551/4885

“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.