SCHEMBL22730461

SCHEMBL22730461

Cc1cc(C)cc(Nc2nccc(-c3c(-c4ccccc4)ncn3C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.60
MAPK14 Q16539 13/20 0.59
BRDT Q58F21 3/20 0.59
BRD2 P25440 2/20 0.59
BRD3 Q15059 2/20 0.59
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
CCNA1 P78396 1/20 0.43
GPR119 Q8TDV5 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
SCHEMBL22730541 0.95 BRD4 (0.63) BRD4MAPK14BRDTBRD2BRD3
SCHEMBL22730463 0.92 BRD4 (0.71) BRD4MAPK14BRDTBRD2BRD3
SCHEMBL22730361 0.92 MAPK14 (0.71) BRD4MAPK14BRDTBRD2BRD3
SCHEMBL22730365 0.92 BRD4 (0.71) BRD4MAPK14BRDTBRD2BRD3
SCHEMBL22730439 0.92 BRD4 (0.73) BRD4MAPK14BRDTBRD2BRD3
SCHEMBL22730455 0.91 BRD4 (0.73) BRD4MAPK14BRDTBRD2BRD3
SCHEMBL1640742 0.88 MAPK14 (0.57) BRD4MAPK14GPR119
SCHEMBL22730370 0.86 MAPK14 (0.61) BRD4MAPK14BRDTBRD2BRD3
SCHEMBL22730559 0.84 BRD4 (0.72) BRD4MAPK14BRDTBRD2BRD3
SCHEMBL22730462 0.83 BRD4 (0.83) BRD4MAPK14BRDTBRD2BRD3

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-20200377474-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-12-03 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-20200377474-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF BRDT, BRD4, BRD3 BRD4 2/4885MAPK14 2751/4885BRDT 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.