SCHEMBL6003887

SCHEMBL6003887

CCCNC(=O)c1csc(-c2[nH][nH]c(=O)c2-c2ccc(F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.44
TP53 P04637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
TGFBR1 P36897 2/20 0.41
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 2/20 0.39
PANK3 Q9H999 1/20 0.39
MAPT P10636 2/20 0.38
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38
PIM1 P11309 1/20 0.37
HPGDS O60760 1/20 0.37
MAPKAPK2 P49137 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
SCHEMBL4723035 0.83 MAPK14 (0.45) MAPK14NPC1RAB9ALMNAHTT
SCHEMBL4763207 0.81 RAB9A (0.50) MAPK14NPC1RAB9ALMNASMN1; SMN2
SCHEMBL27965978 0.77 RAB9A (0.61) TP53NPC1RAB9ALMNAHTT
SCHEMBL4762962 0.75 TP53 (0.48) TP53NPC1RAB9ALMNAHTT
SCHEMBL3436406 0.73 RAB9A (0.45) TP53NPC1RAB9ASMN1; SMN2TLR7
SCHEMBL4721256 0.73 TLR7 (0.46) MAPK14TP53NPC1RAB9ALMNA
SCHEMBL4722407 0.73 NPC1 (0.46) MAPK14TP53NPC1RAB9ALMNA
SCHEMBL4762024 0.72 TP53 (0.43) TP53NPC1RAB9ALMNAHTT
SCHEMBL3436397 0.71 HPGD (0.68) NPC1RAB9ALMNATLR7GAA
SCHEMBL3436271 0.71 HPGD (0.66) NPC1RAB9ALMNASMN1; SMN2HIF1A

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 MAPK14 26/4885TP53 1429/4885NPC1 1832/4885

“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.