SCHEMBL5089494

SCHEMBL5089494

COc1ccc(Nc2c(-c3ccsc3)c(C)nn2-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.70
ADORA2A P29274 1/20 0.70
ADORA2B P29275 1/20 0.70
ADORA3 P0DMS8 1/20 0.58
KDM4E B2RXH2 1/20 0.54
GFER P55789 1/20 0.47
FABP3 P05413 1/20 0.46
FABP4 P15090 1/20 0.46

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
SCHEMBL5089447 0.90 ADORA1 (0.58) ADORA1ADORA2AADORA2BADORA3KDM4E
SCHEMBL5008556 0.90 ADORA1 (0.78) ADORA1ADORA2AADORA2BADORA3KDM4E
SCHEMBL5090478 0.90 ADORA1 (0.81) ADORA1ADORA2AADORA2BADORA3
SCHEMBL5087443 0.89 ADORA1 (0.57) ADORA1ADORA2AADORA2BADORA3KDM4E
SCHEMBL5091064 0.89 ADORA1 (0.57) ADORA1ADORA2AADORA2BADORA3KDM4E
SCHEMBL5090445 0.89 ADORA1 (0.70) ADORA1ADORA2AADORA2BADORA3KDM4E
SCHEMBL5087419 0.88 ADORA1 (0.72) ADORA1ADORA2AADORA2BADORA3KDM4E
SCHEMBL14288874 0.86 ADORA1 (0.57) ADORA1ADORA2AADORA2BADORA3KDM4E
SCHEMBL5096800 0.84 ADORA1 (0.64) ADORA1ADORA2AADORA2BADORA3GFER
SCHEMBL5090472 0.84 ADORA1 (0.70) ADORA1ADORA2AADORA2BADORA3KDM4E

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 3 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

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 680/4885ADORA2A 631/4885ADORA2B 639/4885

“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.