SCHEMBL6004397

SCHEMBL6004397

C#CCNC(=O)c1csc(-c2c(-c3ccc(F)cc3)ncn2C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.45
MAPK14 Q16539 4/20 0.44
NR3C2 P08235 2/20 0.44
PREP P48147 1/20 0.41
FAP Q12884 1/20 0.41
CSNK1D P48730 7/20 0.39
CSNK1E P49674 6/20 0.39
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
MAPK10 P53779 1/20 0.38
TGFBR1 P36897 1/20 0.38
TGFBR2 P37173 1/20 0.38
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
TNIK Q9UKE5 1/20 0.37
MAP4K4 O95819 1/20 0.37
MAPK9 P45984 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
SCHEMBL4721256 0.87 TLR7 (0.46) TLR7MAPK14NR3C2PREPFAP
SCHEMBL4721253 0.83 TLR7 (0.47) TLR7MAPK14NR3C2CSNK1DCSNK1E
SCHEMBL4760720 0.82 MAPK14 (0.51) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL6002781 0.80 CSNK1E (0.47) MAPK14PREPFAPCSNK1DCSNK1E
SCHEMBL4720103 0.79 RAB9A (0.49) MAPK14NR3C2TGFBR1
SCHEMBL4825008 0.78 MAPK14 (0.54) TLR7MAPK14CSNK1DCSNK1E
SCHEMBL4828575 0.78 MAPK14 (0.48) MAPK14CSNK1DCSNK1ETGFBR1
SCHEMBL4762808 0.77 TGFBR1 (0.48) TLR7MAPK14PREPFAPCSNK1D
SCHEMBL6004529 0.77 TLR7 (0.43) TLR7PREPFAPCSNK1DCSNK1E
SCHEMBL6004212 0.76 ACKR3 (0.38) TLR7MAPK14PREPFAPCSNK1D

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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 TLR7 495/4885MAPK14 26/4885NR3C2 888/4885

“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.