SCHEMBL18538409

SCHEMBL18538409

CCS(=O)(=O)Nc1ncc(Cc2ccc(F)cc2F)c(-c2cc(C)c3nnc(C)n3c2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.45
BRD2 P25440 5/20 0.36
BRD3 Q15059 5/20 0.36
CREBBP Q92793 3/20 0.36
PTGS2 P35354 1/20 0.35
MAPK14 Q16539 2/20 0.34
CYP11B2 P19099 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
FGFR1 P11362 1/20 0.32
KMO O15229 1/20 0.32

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
SCHEMBL19927971 0.84 BRD4 (0.64) BRD4CREBBPMAPK14
SCHEMBL18538408 0.81 BRD4 (0.36) BRD4CREBBP
SCHEMBL18164465 0.75 BRD4 (0.62) BRD4CREBBPMAPK14
SCHEMBL18164470 0.74 BRD4 (0.34) BRD4CREBBP
SCHEMBL20160233 0.70 BRD4 (0.55) BRD4BRD2BRD3
SCHEMBL16651455 0.67 BRD4 (0.73) BRD4CREBBP
SCHEMBL16650976 0.67 BRD4 (0.51) BRD4CREBBP
SCHEMBL21994212 0.67 BRD4 (0.41) BRD4CREBBPPTGS2MAPK14
SCHEMBL16651076 0.66 BRD4 (0.72) BRD4CREBBPMAPK14
SCHEMBL16651476 0.65 CREBBP (0.48) BRD4CREBBP

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-20170050968-A1 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. 2017-02-23 US disclosed
US-20170050968-A1 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. 2017-02-23 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-20170050968-A1 BROMODOMAIN INHIBITOR BRD3, BRPF3, EP300 BRD4 5/4885BRD2 8/4885BRD3 1/4885

“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.