SCHEMBL22730360

SCHEMBL22730360

CSc1nccc(-c2c(-c3ccc(C)cc3)ncn2C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.55
BRD4 O60885 6/20 0.46
BRDT Q58F21 2/20 0.46
PRKD3 O94806 2/20 0.43
MAP4K4 O95819 2/20 0.43
PRKCA P17252 2/20 0.43
CSNK1A1 P48729 2/20 0.43
CSNK1D P48730 2/20 0.43
MINK1 Q8N4C8 2/20 0.43
MAP4K5 Q9Y4K4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK13 O15264 1/20 0.43
EGFR P00533 1/20 0.43
RAF1 P04049 1/20 0.43
CYP1A2 P05177 1/20 0.43
LCK P06239 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
FRK P42685 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
SCHEMBL6881409 0.92 MAPK14 (0.62) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL22730496 0.92 MAPK14 (0.51) MAPK14BRD4PRKD3MAP4K4PRKCA
SCHEMBL22730315 0.91 MAPK14 (0.53) MAPK14BRD4PRKD3MAP4K4PRKCA
SCHEMBL22730349 0.86 MAPK14 (0.54) MAPK14BRD4BRDTPRKD3MAP4K4
SCHEMBL22730541 0.83 BRD4 (0.63) MAPK14BRD4BRDT
SCHEMBL22730495 0.82 MAPK14 (0.71) MAPK14BRD4BRDT
SCHEMBL7884407 0.81 MAPK14 (0.68) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL27545277 0.80 MAPK14 (0.80) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL6876676 0.80 MAPK14 (0.70) MAPK14BRD4BRDTPRKD3MAP4K4
SCHEMBL1640742 0.79 MAPK14 (0.57) MAPK14BRD4GPR119

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.