SCHEMBL5090463

SCHEMBL5090463

CCc1sc(-c2c(C)nn(-c3ccccc3OC)c2Nc2ccc(Cl)cc2C(=O)O)nc1OC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.49
ADORA3 P0DMS8 1/20 0.44
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MARS1 P56192 1/20 0.39
RNASEL Q05823 1/20 0.38

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
SCHEMBL5087414 0.93 ADORA1 (0.58) ADORA1ADORA3ADORA2AADORA2BTDP1
SCHEMBL14288901 0.92 ADORA1 (0.42) ADORA1ADORA3KDM4EGAAMARS1
SCHEMBL5087457 0.91 ADORA1 (0.52) ADORA1ADORA3KDM4EGAAADORA2A
SCHEMBL5089499 0.89 ADORA1 (0.51) ADORA1ADORA3KDM4EGAAADORA2A
SCHEMBL5087425 0.87 ADORA1 (0.61) ADORA1ADORA3KDM4EADORA2AADORA2B
SCHEMBL5090462 0.85 ADORA1 (0.50) ADORA1ADORA3KDM4EGAAADORA2A
SCHEMBL5087423 0.85 ADORA1 (0.68) ADORA1ADORA3KDM4EADORA2AADORA2B
SCHEMBL5090413 0.83 ADORA1 (0.53) ADORA1ADORA3KDM4EGAAADORA2A
SCHEMBL5089422 0.83 ADORA1 (0.61) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL14288900 0.83 ADORA1 (0.44) ADORA1ADORA3KDM4EGAAADORA2A

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 187/4885KDM4E 2741/4885

“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.