SCHEMBL5089499

SCHEMBL5089499

CCOc1nc(-c2c(C)nn(-c3ccccc3OC)c2Nc2ccc(Cl)cc2C(=O)O)sc1C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 17/20 0.51
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
MARS1 P56192 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5087457 0.93 ADORA1 (0.52) ADORA1ADORA3ADORA2AADORA2BMARS1
SCHEMBL14288900 0.93 ADORA1 (0.44) ADORA1ADORA3ADORA2AADORA2BMARS1
SCHEMBL5090980 0.92 ADORA1 (0.60) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5090463 0.89 ADORA1 (0.49) ADORA1ADORA3ADORA2AADORA2BMARS1
SCHEMBL5096099 0.87 ADORA1 (0.63) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL5089422 0.86 ADORA1 (0.61) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5087416 0.86 ADORA1 (0.52) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL5087447 0.85 ADORA1 (0.62) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL5090462 0.83 ADORA1 (0.50) ADORA1ADORA3ADORA2AADORA2BMARS1
SCHEMBL5090413 0.83 ADORA1 (0.53) ADORA1ADORA3ADORA2AADORA2BMARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009531-A1 5-Anilino-4-Heteroarylpyrazole Derivatives Useful for the Treatment of Diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-01-10 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-20080009531-A1 5-Anilino-4-Heteroarylpyrazole Derivatives Useful for the Treatment of Diabetes GPR119, IAPP, GLP1R ADORA1 680/4885ADORA3 187/4885ADORA2A 631/4885

“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.