SCHEMBL5012082

SCHEMBL5012082

CCOc1ccccc1-n1nc(C(C)(C)C)cc1Nc1ccc(OC)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.48
NTRK1 P04629 1/20 0.48
NTRK2 Q16620 1/20 0.48
MAPK12 P53778 3/20 0.46
MAPK14 Q16539 3/20 0.46
MAPK13 O15264 2/20 0.46
MAPK11 Q15759 2/20 0.46
GFER P55789 1/20 0.45
SLC16A3 O15427 1/20 0.45
SLC16A1 P53985 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 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 0.92 ADORA1 (0.51) ADORA1MAPK12MAPK14MAPK13MAPK11
SCHEMBL5008499 0.89 NTRK1 (0.52) NTRK1NTRK2MAPK12MAPK14MAPK13
SCHEMBL5012222 0.86 ADORA1 (0.62) ADORA1NTRK1MAPK12MAPK14MAPK13
SCHEMBL27637095 0.85 ADORA1 (0.51) ADORA1MAPK12MAPK14MAPK13MAPK11
SCHEMBL5008418 0.84 GFER (0.60) ADORA1NTRK1NTRK2MAPK12MAPK14
SCHEMBL5007802 0.84 ADORA1 (0.49) ADORA1MAPK12MAPK14MAPK13MAPK11
SCHEMBL5010696 0.83 ADORA1 (0.54) ADORA1MAPK12MAPK14MAPK13MAPK11
SCHEMBL1819874 0.81 GFER (0.52) ADORA1NTRK1GFERSLC16A3SLC16A1
SCHEMBL5008686 0.80 ADORA1 (0.49) ADORA1MAPK12MAPK14MAPK13MAPK11
SCHEMBL5007787 0.79 ADORA1 (0.52) ADORA1MAPK12MAPK14MAPK13MAPK11

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 749/4885NTRK1 4337/4885NTRK2 2371/4885
US-20040157904-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 ADORA1 749/4885NTRK1 4337/4885NTRK2 2371/4885

“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.