SCHEMBL5008686

SCHEMBL5008686

COc1ccc(Nc2cc(C(C)(C)C)nn2-c2c(C)cccc2OC)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.49
GFER P55789 2/20 0.46
MAPK14 Q16539 5/20 0.45
MAPK13 O15264 2/20 0.45
MAPK12 P53778 2/20 0.45
MAPK11 Q15759 2/20 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
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
DHODH Q02127 1/20 0.43
ADORA3 P0DMS8 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
SCHEMBL5007787 0.94 ADORA1 (0.52) ADORA1GFERMAPK14MAPK13MAPK12
SCHEMBL5007746 0.90 GFER (0.51) GFERMAPK14MAPK13MAPK12MAPK11
SCHEMBL5008723 0.87 MAPK14 (0.46) ADORA1GFERMAPK14MAPK13MAPK12
SCHEMBL5010696 0.86 ADORA1 (0.54) ADORA1GFERMAPK14MAPK13MAPK12
SCHEMBL5012181 0.86 ADORA1 (0.51) ADORA1GFERMAPK14MAPK13MAPK12
SCHEMBL5012222 0.86 ADORA1 (0.62) ADORA1GFERMAPK14MAPK13MAPK12
SCHEMBL5008418 0.83 GFER (0.60) ADORA1GFERMAPK14MAPK13MAPK12
SCHEMBL3860009 0.81 MEN1 (0.48) GFERMAPK14MAPK13MAPK12MAPK11
SCHEMBL3979442 0.81 MAPK14 (0.40) GFERMAPK14MAPK13MAPK12MAPK11
SCHEMBL5012082 0.80 ADORA1 (0.48) ADORA1GFERMAPK14MAPK13MAPK12

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 749/4885GFER 1604/4885MAPK14 1938/4885
US-20040157904-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 ADORA1 749/4885GFER 1604/4885MAPK14 1938/4885

“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.