SCHEMBL5008469

SCHEMBL5008469

COc1cc(Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2C)c(C(=O)O)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.54
ADORA3 P0DMS8 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GFER P55789 2/20 0.43
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM5 P41594 1/20 0.41

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
SCHEMBL5012055 0.95 ADORA1 (0.53) ADORA1ADORA3MEN1KMT2AL3MBTL1
SCHEMBL5008399 0.88 ADORA1 (0.55) ADORA1ADORA3LMNAMAPTPOLB
SCHEMBL5010557 0.88 ADORA1 (0.71) ADORA1ADORA3L3MBTL1MAPTPOLB
SCHEMBL5005236 0.87 ADORA1 (0.56) ADORA1ADORA3MEN1KMT2AL3MBTL1
SCHEMBL5011976 0.87 ADORA1 (0.49) ADORA1MEN1KMT2AL3MBTL1LMNA
SCHEMBL5007754 0.86 ADORA1 (0.52) ADORA1MEN1KMT2AL3MBTL1LMNA
SCHEMBL14600721 0.85 ALDH1A1 (0.48) ADORA1MEN1KMT2AL3MBTL1LMNA
SCHEMBL5008775 0.84 ADORA1 (0.55) ADORA1MEN1KMT2AL3MBTL1LMNA
SCHEMBL5005319 0.83 POLB (0.50) ADORA1MEN1KMT2AL3MBTL1LMNA
SCHEMBL5008457 0.83 ADORA1 (0.47) ADORA1MEN1KMT2AL3MBTL1LMNA

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 2 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 disclosed
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 US 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-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 ADORA1 749/4885ADORA3 111/4885MEN1 4148/4885

“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.