SCHEMBL4760720

SCHEMBL4760720

C#CCNC(=O)c1csc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.51
MAPK11 Q15759 3/20 0.51
MAPK13 O15264 2/20 0.51
MAPK12 P53778 2/20 0.51
CSNK1D P48730 4/20 0.49
PRKD3 O94806 2/20 0.49
MAP4K4 O95819 2/20 0.49
PRKACA P17612 2/20 0.49
CSNK1A1 P48729 2/20 0.49
MINK1 Q8N4C8 2/20 0.49
MAP4K5 Q9Y4K4 2/20 0.49
RIPK2 O43353 1/20 0.49
DYRK3 O43781 1/20 0.49
PRKCG P05129 1/20 0.49
LCK P06239 1/20 0.49
LYN P07948 1/20 0.49
RET P07949 1/20 0.49
PIM1 P11309 1/20 0.49
MAPK1 P28482 1/20 0.49
FLT4 P35916 1/20 0.49

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
SCHEMBL4719200 0.89 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL6002781 0.87 CSNK1E (0.47) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL4828575 0.86 MAPK14 (0.48) MAPK14CSNK1DCSNK1E
SCHEMBL4719198 0.86 MAPK14 (0.57) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL4825008 0.85 MAPK14 (0.54) MAPK14CSNK1DCSNK1E
SCHEMBL4760240 0.84 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL4723030 0.84 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL6004538 0.83 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL6004397 0.82 TLR7 (0.45) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL4723796 0.81 BRD4 (0.45) MAPK14MAPK11MAPK13MAPK12CSNK1D

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 26/4885MAPK11 45/4885MAPK13 30/4885

“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.