SCHEMBL22730366

SCHEMBL22730366

Cc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(I)cc4)ncn3C3CCNCC3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 1.00
MAPK14 Q16539 9/20 1.00
BRDT Q58F21 5/20 0.84
BRD2 P25440 3/20 0.84
BRD3 Q15059 3/20 0.84

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
SCHEMBL22730413 0.94 BRD4 (0.88) BRD4MAPK14BRDTBRD2BRD3
SCHEMBL22730323 0.91 BRD4 (1.00) BRD4MAPK14BRDTBRD2BRD3
SCHEMBL22730464 0.91 BRD4 (1.00) BRD4MAPK14BRDTBRD2BRD3
SCHEMBL22730357 0.91 MAPK14 (1.00) BRD4MAPK14BRDTBRD2BRD3
SCHEMBL22730462 0.91 BRD4 (0.83) BRD4MAPK14BRDTBRD2BRD3
SCHEMBL22730440 0.90 BRD4 (1.00) BRD4MAPK14BRDTBRD2BRD3
SCHEMBL22730380 0.89 BRD4 (1.00) BRD4MAPK14BRDTBRD2BRD3
SCHEMBL22730369 0.83 MAPK14 (0.85) BRD4MAPK14BRDTBRD2BRD3
SCHEMBL22730405 0.82 BRD4 (1.00) BRD4MAPK14BRDTBRD2BRD3
SCHEMBL22730377 0.82 BRD4 (1.00) BRD4MAPK14BRDT

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.