SCHEMBL3238673

SCHEMBL3238673

Cn1c([S+](C)[O-])nc(-c2ccc(F)cc2)c1-c1ccnc(N[C@@H]2CCCC[C@H]2O)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.60
GSK3B P49841 2/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
KCNH2 Q12809 1/20 0.46
MAPK10 P53779 3/20 0.45

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
SCHEMBL3238366 1.00 MAPK14 (0.60) MAPK14GSK3BPDE4APDE4BPDE4C
SCHEMBL2844502 0.88 MAPK14 (0.56) MAPK14GSK3BPDE4APDE4BPDE4C
SCHEMBL3235157 0.88 MAPK14 (0.76) MAPK14MAPK10
SCHEMBL2845098 0.87 MAPK14 (0.58) MAPK14GSK3BPDE4APDE4BPDE4C
SCHEMBL2845781 0.87 MAPK14 (0.58) MAPK14GSK3BPDE4APDE4BPDE4C
SCHEMBL3233633 0.86 MAPK14 (0.61) MAPK14GSK3BPDE4APDE4BPDE4C
SCHEMBL3229947 0.84 MAPK14 (0.76) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL3231165 0.84 MAPK14 (0.76) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL3237225 0.82 MAPK14 (0.59) MAPK14GSK3BPDE4APDE4BPDE4C
SCHEMBL29357806 0.81 MAPK14 (0.69) MAPK14PDE4APDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069436-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT Merckle (DE) 2010-03-18 US claimed
EP-1894925-A1 Imidazole compounds having an antiinflammatory effect MERCKLE GMBH (DE) 2008-03-05 EP claimed

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-20100069436-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MIF, TNF, IL1B MAPK14 2368/4885GSK3B 3289/4885PDE4A 1007/4885

“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.