SCHEMBL5007735

SCHEMBL5007735

Cc1ccccc1-n1nc(C)c(-c2cccnc2)c1Nc1ccc(Cl)cc1C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 17/20 0.56
ADORA3 P0DMS8 1/20 0.46
ADORA2B P29275 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SCN9A Q15858 1/20 0.37

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
SCHEMBL5008645 0.91 ADORA1 (0.61) ADORA1ADORA3ADORA2BKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL5007734 0.88 ADORA1 (0.67) ADORA1ADORA3ADORA2B
SCHEMBL5008368 0.82 ADORA1 (0.66) ADORA1ADORA3ADORA2BKDM4E
Trifluoroacetic Acid SCHEMBL5008642 0.80 ADORA1 (0.73) ADORA1ADORA3ADORA2B
SCHEMBL5012017 0.78 ADORA1 (0.68) ADORA1ADORA3ADORA2B
SCHEMBL5008331 0.78 ADORA1 (0.72) ADORA1ADORA3ADORA2BKDM4EALDH1A1
SCHEMBL3304814 0.75 ADORA1 (0.84) ADORA1ADORA3ADORA2B
SCHEMBL5090418 0.72 ADORA1 (0.71) ADORA1ADORA3ADORA2B
SCHEMBL1819219 0.72 ADORA1 (1.00) ADORA1ADORA3ADORA2B
SCHEMBL5010629 0.71 ADORA1 (0.82) ADORA1ADORA3ADORA2B

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 111/4885ADORA2B 977/4885

“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.