SCHEMBL22606002

SCHEMBL22606002

Cc1sc2c(c1C)C(c1ccncc1)=NC(CNC(=O)C(F)(F)F)c1nnc(C)n1-2

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.59
BRDT Q58F21 6/20 0.57
ADORA3 P0DMS8 1/20 0.57
TSPO P30536 1/20 0.57
BRD2 P25440 5/20 0.57
DNER Q8NFT8 1/20 0.56

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
SCHEMBL12186087 0.91 BRD4 (0.59) BRD4BRDTADORA3TSPOBRD2
SCHEMBL881272 0.91 BRD4 (0.70) BRD4BRDTADORA3TSPOBRD2
SCHEMBL12152375 0.91 BRD4 (0.70) BRD4BRDTADORA3TSPOBRD2
SCHEMBL15114804 0.85 BRD4 (0.71) BRD4BRDTADORA3TSPOBRD2
SCHEMBL18199864 0.85 BRD4 (0.71) BRD4BRDTADORA3TSPOBRD2
SCHEMBL24490767 0.83 BRD4 (0.76) BRD4BRDTADORA3TSPOBRD2
SCHEMBL881277 0.83 BRD4 (0.76) BRD4BRDTADORA3TSPOBRD2
SCHEMBL12186083 0.83 BRD4 (0.63) BRD4BRDTADORA3TSPOBRD2
SCHEMBL21142331 0.83 BRD4 (0.61) BRD4BRDTADORA3TSPOBRD2
SCHEMBL23321129 0.81 BRD4 (0.79) BRD4BRDTADORA3TSPOBRD2

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-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 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-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC BRD4 205/4885BRDT 85/4885ADORA3 4392/4885

“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.