SCHEMBL5091963

SCHEMBL5091963

CCc1ccc(Nc2c(-c3nc4c(s3)CCCO4)c(CC)nn2-c2ccccc2OC)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 14/20 0.40
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL14288902 0.89 ADORA1 (0.41) ADORA1ADORA3LMNATSHRHTT
SCHEMBL5091063 0.83 ADORA1 (0.45) ADORA1ADORA3
SCHEMBL5087459 0.82 ADORA1 (0.43) ADORA1ADORA3
SCHEMBL5089522 0.76 ADORA1 (0.46) ADORA1ADORA3LMNAHTT
SCHEMBL5089456 0.76 ADORA1 (0.48) ADORA1ADORA3
SCHEMBL14288901 0.75 ADORA1 (0.42) ADORA1ADORA3LMNATSHRHTT
SCHEMBL5089524 0.75 ADORA1 (0.53) ADORA1ADORA3
SCHEMBL5090447 0.75 ADORA1 (0.47) ADORA1ADORA3
SCHEMBL5090420 0.74 ADORA1 (0.50) ADORA1ADORA3
SCHEMBL5096111 0.74 ADORA1 (0.43) ADORA1ADORA3LMNATSHRHTT

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 680/4885PPARD 88/4885PPARA 51/4885

“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.