SCHEMBL6004387

SCHEMBL6004387

CCCNC(=O)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C2CCN(C(=O)c3ccncc3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 17/20 0.55
MAPK14 Q16539 17/20 0.55
KCNH2 Q12809 1/20 0.55
NAMPT P43490 1/20 0.41
PIM1 P11309 2/20 0.39

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
SCHEMBL6004032 0.92 MAPK11 (0.48) MAPK11MAPK14KCNH2NAMPTPIM1
SCHEMBL6002704 0.91 MAPK11 (0.49) MAPK11MAPK14KCNH2NAMPT
SCHEMBL4761929 0.89 MAPK11 (0.50) MAPK11MAPK14KCNH2
SCHEMBL6003915 0.89 MAPK11 (0.51) MAPK11MAPK14KCNH2
SCHEMBL6003990 0.89 MAPK11 (0.47) MAPK11MAPK14KCNH2PIM1
SCHEMBL6004384 0.88 MAPK11 (0.57) MAPK11MAPK14KCNH2NAMPTPIM1
SCHEMBL6003602 0.88 MAPK11 (0.49) MAPK11MAPK14KCNH2
SCHEMBL6004382 0.88 MAPK11 (0.49) MAPK11MAPK14KCNH2
SCHEMBL6004581 0.87 MAPK11 (0.53) MAPK11MAPK14KCNH2
SCHEMBL6004873 0.87 MAPK11 (0.48) MAPK11MAPK14KCNH2

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 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.