SCHEMBL5096137

SCHEMBL5096137

COc1ccc(Nc2c(-c3nc(C)c(C)s3)c(C)nn2-c2ccccc2Cl)c(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 15/20 0.67
ADORA3 P0DMS8 1/20 0.55
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 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
SCHEMBL5087453 0.93 ADORA1 (0.65) ADORA1ADORA3ADORA2AADORA2BFABP3
SCHEMBL5091048 0.92 ADORA1 (0.63) ADORA1ADORA3ADORA2AADORA2BFABP3
SCHEMBL5096767 0.91 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL5096099 0.90 ADORA1 (0.63) ADORA1ADORA3ADORA2AADORA2BFABP3
SCHEMBL5087430 0.87 ADORA1 (0.66) ADORA1ADORA3ADORA2AADORA2BFABP3
SCHEMBL5087425 0.87 ADORA1 (0.61) ADORA1ADORA3ADORA2AADORA2BFABP3
SCHEMBL5087454 0.87 ADORA1 (0.65) ADORA1ADORA3ADORA2AADORA2BFABP3
SCHEMBL5091089 0.86 ADORA1 (0.70) ADORA1ADORA3ADORA2AADORA2BFABP3
SCHEMBL5090427 0.85 ADORA1 (0.61) ADORA1ADORA3ADORA2AADORA2BFABP3
SCHEMBL5089457 0.85 ADORA1 (0.72) 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.