SCHEMBL5007802

SCHEMBL5007802

COc1ccc(Nc2cc(C(C)(C)C)nn2-c2ccccc2SC)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.49
MAPK14 Q16539 5/20 0.48
MAPK13 O15264 3/20 0.48
MAPK12 P53778 3/20 0.48
MAPK11 Q15759 3/20 0.48
GFER P55789 2/20 0.46
ADORA3 P0DMS8 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43

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
SCHEMBL5012181 0.88 ADORA1 (0.51) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5012222 0.88 ADORA1 (0.62) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5008418 0.85 GFER (0.60) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL27637095 0.84 ADORA1 (0.51) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5010696 0.84 ADORA1 (0.54) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5012082 0.84 ADORA1 (0.48) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5007787 0.81 ADORA1 (0.52) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14600243 0.80 GFER (0.53) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14600184 0.80 ADORA1 (0.49) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5008388 0.79 MAPK14 (0.53) ADORA1MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-03-13 US claimed
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 US claimed
US-20040157904-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION 2004-08-12 US 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 (2 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-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 ADORA1 749/4885MAPK14 1938/4885MAPK13 885/4885
US-20040157904-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 ADORA1 749/4885MAPK14 1938/4885MAPK13 885/4885

“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.