SCHEMBL5089486

SCHEMBL5089486

CCc1nn(-c2ccccc2OC)c(Nc2ccc(OC)cc2C(=O)O)c1-c1nccs1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 17/20 0.55
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
KDM6B O15054 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 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
SCHEMBL5096096 0.92 ADORA1 (0.47) ADORA1ADORA3ADORA2AADORA2BKDM6B
SCHEMBL5090419 0.92 ADORA1 (0.48) ADORA1ADORA3ADORA2AADORA2BKDM6B
SCHEMBL5090414 0.92 ADORA1 (0.63) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5091046 0.91 ADORA1 (0.47) ADORA1ADORA3ADORA2AADORA2BKDM6B
SCHEMBL5091935 0.87 ADORA1 (0.53) ADORA1ADORA3ADORA2AADORA2BFABP3
SCHEMBL5087436 0.87 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BFABP3
SCHEMBL5089524 0.87 ADORA1 (0.53) ADORA1ADORA3ADORA2AADORA2BFABP3
SCHEMBL5087429 0.86 ADORA1 (0.43) ADORA1ADORA3KDM6B
SCHEMBL5087416 0.84 ADORA1 (0.52) ADORA1ADORA3ADORA2AADORA2BFABP3
SCHEMBL5089482 0.83 ADORA1 (0.73) ADORA1ADORA3ADORA2AADORA2B

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 4 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 claimed
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 680/4885ADORA3 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.