SCHEMBL5126775

SCHEMBL5126775

CSc1ccc(NC(=O)Nc2cc(-c3c(-c4ccc(F)c(C)c4)nc4cccnn34)ccn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.69
MAPK13 O15264 17/20 0.69
MAPK12 P53778 17/20 0.69
MAPK11 Q15759 17/20 0.69
NPC1 O15118 1/20 0.48
GBA1 P04062 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GSK3B P49841 1/20 0.42

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
SCHEMBL5119083 0.90 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11
SCHEMBL14131853 0.89 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL5119558 0.88 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5119958 0.87 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5127142 0.87 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL5116043 0.87 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5120096 0.87 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5127226 0.87 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5127417 0.86 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5125621 0.86 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167314-A1 Condensed Imidazole Compound And Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
US-20080167314-A1 Condensed Imidazole Compound And Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
US-20080167314-A1 Condensed Imidazole Compound And Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
EP-1832588-A1 CONDENSED IMIDAZOLE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-09-12 EP 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-20080167314-A1 Condensed Imidazole Compound And Use Thereof MAPK13, MMP13, MAPK3 MAPK14 5/4885MAPK13 1/4885MAPK12 9/4885

“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.