SCHEMBL5096792

SCHEMBL5096792

COc1ccc(Nc2c(-c3cc4ccccc4o3)c(C)nn2-c2ccccc2C)c(C(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 18/20 0.72
ADORA3 P0DMS8 1/20 0.64
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5090405 0.95 ADORA1 (0.72) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL5090993 0.93 ADORA1 (0.72) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL5091032 0.93 ADORA1 (0.72) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL5096116 0.91 ADORA1 (0.67) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL5087424 0.91 ADORA1 (0.72) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL5090415 0.89 ADORA1 (0.64) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL5096804 0.85 ADORA1 (0.75) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL5010548 0.85 ADORA1 (0.94) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL5096141 0.84 ADORA1 (0.75) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL5087426 0.84 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BKDM4E

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 680/4885ADORA3 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.