SCHEMBL4789586

SCHEMBL4789586

CC(C)NC(=O)c1csc(-c2c(-c3ccc(F)cc3)ncn2C2CC(C)(C)NC(C)(C)C2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.51
CSNK1D P48730 3/20 0.47
CSNK1E P49674 2/20 0.47
MAPK13 O15264 6/20 0.41
MAPK12 P53778 6/20 0.41
MAPK11 Q15759 6/20 0.41
TGFBR1 P36897 2/20 0.40
TLR7 Q9NYK1 1/20 0.39
TGFBR2 P37173 1/20 0.39
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
CYP1A2 P05177 1/20 0.37
LCK P06239 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL4719198 0.86 MAPK14 (0.57) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL4761912 0.85 MAPK14 (0.51) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL6004854 0.83 MAPK14 (0.46) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL6004040 0.81 CSNK1E (0.50) MAPK14CSNK1DCSNK1EMAP4K4
SCHEMBL6004451 0.81 CSNK1D (0.48) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL4721253 0.80 TLR7 (0.47) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL4915605 0.80 MAPK14 (0.47) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL6003859 0.80 MAPK14 (0.54) MAPK14CSNK1DCSNK1ETLR7EGFR
SCHEMBL4723794 0.78 MAPK14 (0.48) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL29126896 0.76 TGFBR1 (0.44) MAPK14CSNK1DCSNK1EMAPK13MAPK12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 WO 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 MAPK14 26/4885CSNK1D 1696/4885CSNK1E 1579/4885

“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.