SCHEMBL5116322

SCHEMBL5116322

Nc1cc(-c2c(-c3ccc(Cl)cc3)nc3cccnn23)ccn1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.61
MAPK13 O15264 14/20 0.61
MAPK12 P53778 14/20 0.61
MAPK11 Q15759 14/20 0.61
AKT1 P31749 1/20 0.46
AKT2 P31751 1/20 0.46
PDE4A P27815 4/20 0.45
PDE4B Q07343 4/20 0.45
PDE4C Q08493 4/20 0.45
PDE4D Q08499 4/20 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
SCHEMBL5114831 0.88 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL5115256 0.88 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL3106055 0.83 AKT1 (0.47) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL5121236 0.83 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5114947 0.81 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL5117374 0.77 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5121002 0.76 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11PDE4A
SCHEMBL5124942 0.74 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11PDE4A
SCHEMBL14131841 0.74 MAPK14 (0.84) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5127236 0.74 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11AKT1

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 5 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
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.