SCHEMBL5089431

SCHEMBL5089431

CCc1csc(-c2c(CC)nn(-c3ccccc3OC)c2Nc2ccc(OC)cc2C(=O)OC)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 14/20 0.45
ADORA3 P0DMS8 1/20 0.40
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
P2RY1 P47900 1/20 0.36

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
SCHEMBL5089524 0.94 ADORA1 (0.53) ADORA1ADORA3DRD2DRD4ADORA2A
SCHEMBL5087459 0.88 ADORA1 (0.43) ADORA1ADORA3
SCHEMBL5091073 0.87 ADORA1 (0.59) ADORA1ADORA3KDM4EADORA2AADORA2B
SCHEMBL5096081 0.86 ADORA1 (0.49) ADORA1KDM4E
SCHEMBL5087436 0.86 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5090447 0.86 ADORA1 (0.47) ADORA1ADORA3
SCHEMBL5090491 0.86 ADORA1 (0.62) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5091935 0.86 ADORA1 (0.53) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5096111 0.85 ADORA1 (0.43) ADORA1ADORA3KDM4EGAA
SCHEMBL5089402 0.84 ADORA1 (0.39) ADORA1ADORA3

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 5 patents. 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
US-20080009531-A1 5-Anilino-4-Heteroarylpyrazole Derivatives Useful for the Treatment of Diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-01-10 US disclosed
US-20080009531-A1 5-Anilino-4-Heteroarylpyrazole Derivatives Useful for the Treatment of Diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-01-10 US disclosed
EP-1750698-A2 5-ANILINO-4-HETEROARYLPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Pharmaceuticals Corporation (US) 2007-02-14 EP disclosed
WO-2005112923-A2 5-ANILINO-4-HETEROARYLPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-01 WO 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.