SCHEMBL21998726

SCHEMBL21998726

CCS(=O)(=O)Nc1ncc(Oc2ccc(F)cc2F)c(C)n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.56
MAPK14 Q16539 5/20 0.53
MAPK8 P45983 3/20 0.44
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
MAPK11 Q15759 1/20 0.43
EP300 Q09472 1/20 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
SCHEMBL18649045 0.85 BRD4 (0.51) BRD4MAPK14MAPK8MAPK9MAPK10
SCHEMBL16651455 0.79 BRD4 (0.73) BRD4
SCHEMBL16654877 0.78 BRD4 (0.53) BRD4MAPK14MAPK8EP300
SCHEMBL16660698 0.78 BRD4 (0.62) BRD4MAPK14MAPK8
SCHEMBL19927971 0.77 BRD4 (0.64) BRD4MAPK14EP300
SCHEMBL16651076 0.77 BRD4 (0.72) BRD4MAPK14MAPK8MAPK9MAPK10
SCHEMBL16650378 0.76 BRD4 (0.63) BRD4MAPK14EP300
SCHEMBL29849018 0.76 BRD4 (0.57) BRD4EP300
SCHEMBL16651500 0.76 BRD4 (0.57) BRD4EP300
SCHEMBL16650282 0.76 BRD4 (0.75) BRD4MAPK14

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-10941160-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2021-03-09 US disclosed
US-20200148703-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-14 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 (2 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-10941160-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 BRD4 5/4885MAPK14 2056/4885MAPK8 1913/4885
US-20200148703-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885MAPK14 2056/4885MAPK8 1913/4885

“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.