SCHEMBL5087429

SCHEMBL5087429

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.43
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
KDM6B O15054 1/20 0.37
S1PR1 P21453 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SCN9A Q15858 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34

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
SCHEMBL5090419 0.94 ADORA1 (0.48) ADORA1ADORA3KDM6B
SCHEMBL5089402 0.87 ADORA1 (0.39) ADORA1HSP90AA1MAPTHTTNPSR1
SCHEMBL5096096 0.86 ADORA1 (0.47) ADORA1ADORA3KDM6B
SCHEMBL5089486 0.86 ADORA1 (0.55) ADORA1ADORA3KDM6B
SCHEMBL5091046 0.85 ADORA1 (0.47) ADORA1HTTADORA3KDM6B
SCHEMBL14288887 0.82 MAPT (0.40) ADORA1HSP90AA1MAPTHTTNPSR1
SCHEMBL5087438 0.80 ADORA1 (0.46) ADORA1MAPTHTTADORA3
SCHEMBL5090378 0.79 SCN9A (0.40) ADORA1HSP90AA1MAPTHTTNPSR1
SCHEMBL5090414 0.79 ADORA1 (0.63) ADORA1ADORA3
SCHEMBL5089431 0.79 ADORA1 (0.45) ADORA1ADORA3

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 5 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
EP-1750698-A2 5-ANILINO-4-HETEROARYLPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Pharmaceuticals Corporation (US) 2007-02-14 EP disclosed
WO-2005112923-A2 5-ANILINO-4-HETEROARYLPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-01 WO 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 680/4885HSP90AA1 2587/4885MAPT 2983/4885

“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.