SCHEMBL5087459

SCHEMBL5087459

CCc1ccc(Nc2c(-c3nc(CC)cs3)c(CC)nn2-c2ccccc2OC)c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.43
ADORA3 P0DMS8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KLKB1 P03952 2/20 0.35
KLK1 P06870 2/20 0.35
METAP2 P50579 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5090447 0.92 ADORA1 (0.47) ADORA1ADORA3MEN1KMT2A
SCHEMBL5089524 0.92 ADORA1 (0.53) ADORA1ADORA3
SCHEMBL5096111 0.92 ADORA1 (0.43) ADORA1ADORA3
SCHEMBL5096081 0.91 ADORA1 (0.49) ADORA1SMN1; SMN2KMT2A
SCHEMBL5089431 0.88 ADORA1 (0.45) ADORA1ADORA3
SCHEMBL5091063 0.85 ADORA1 (0.45) ADORA1ADORA3METAP2
SCHEMBL5091073 0.85 ADORA1 (0.59) ADORA1ADORA3
SCHEMBL5090440 0.85 ADORA1 (0.53) ADORA1ADORA3
SCHEMBL14288902 0.85 ADORA1 (0.41) ADORA1ADORA3SMN1; SMN2MEN1KMT2A
SCHEMBL5087438 0.84 ADORA1 (0.46) ADORA1ADORA3MEN1KMT2AMAPT

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 6 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
EP-1750698-A2 5-ANILINO-4-HETEROARYLPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Pharmaceuticals Corporation (US) 2007-02-14 EP claimed
WO-2005112923-A2 5-ANILINO-4-HETEROARYLPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-01 WO 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 187/4885SMN1; SMN2 4246/4885

“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.