SCHEMBL22730357

SCHEMBL22730357

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 1.00
BRD4 O60885 10/20 1.00
BRDT Q58F21 5/20 1.00
BRD2 P25440 2/20 1.00
BRD3 Q15059 2/20 1.00
PRKD3 O94806 2/20 0.65
MAP4K4 O95819 2/20 0.65
PRKACA P17612 2/20 0.65
CSNK1A1 P48729 2/20 0.65
CSNK1D P48730 2/20 0.65
MINK1 Q8N4C8 2/20 0.65
MAP4K5 Q9Y4K4 2/20 0.65
MAPK13 O15264 1/20 0.65
RIPK2 O43353 1/20 0.65
DYRK3 O43781 1/20 0.65
PRKCG P05129 1/20 0.65
LCK P06239 1/20 0.65
LYN P07948 1/20 0.65
RET P07949 1/20 0.65
PIM1 P11309 1/20 0.65

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) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL22730369 0.92 MAPK14 (0.85) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL22730366 0.91 BRD4 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL22730323 0.91 BRD4 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL22730464 0.91 BRD4 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL22730462 0.91 BRD4 (0.83) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL22730380 0.91 BRD4 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL22730440 0.90 BRD4 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL22730405 0.90 BRD4 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6581980 0.88 MAPK14 (1.00) MAPK14BRD4BRDTBRD2BRD3

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 MAPK14 2751/4885BRD4 2/4885BRDT 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.