SCHEMBL4830402

SCHEMBL4830402

C#CCNC(=O)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C2CCNCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 7/20 0.50
MAPK14 Q16539 7/20 0.50
KCNH2 Q12809 1/20 0.43
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PIM3 Q86V86 4/20 0.36
PIM2 Q9P1W9 4/20 0.36
PIM1 P11309 3/20 0.36
MAPK13 O15264 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK12 P53778 1/20 0.36
CHEK1 O14757 1/20 0.35
ACKR3 P25106 2/20 0.34
USP30 Q70CQ3 1/20 0.34
ROCK1 Q13464 1/20 0.34
TGFBR1 P36897 1/20 0.34
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33

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
SCHEMBL4761409 0.91 MAPK11 (0.52) MAPK11MAPK14KCNH2PREPFAP
SCHEMBL4761674 0.89 MAPK11 (0.51) MAPK11MAPK14KCNH2PREPFAP
SCHEMBL4761470 0.88 MAPK11 (0.52) MAPK11MAPK14KCNH2PREPFAP
SCHEMBL6002821 0.87 MAPK11 (0.49) MAPK11MAPK14KCNH2PREPFAP
SCHEMBL4762891 0.85 MAPK11 (0.52) MAPK11MAPK14KCNH2TLR7PIM3
SCHEMBL4761678 0.85 MAPK14 (0.52) MAPK11MAPK14KCNH2TLR7PIM3
SCHEMBL3373577 0.84 MAPK11 (0.59) MAPK11MAPK14KCNH2TLR7MAPK13
SCHEMBL6004529 0.83 TLR7 (0.43) PREPFAPTLR7ROCK1TGFBR1
SCHEMBL1907403 0.83 MAPK11 (0.50) MAPK11MAPK14KCNH2TLR7PIM3
SCHEMBL4865422 0.82 MAPK14 (0.52) MAPK11MAPK14KCNH2MAPK13RAF1

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 MAPK11 45/4885MAPK14 26/4885KCNH2 4599/4885

“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.