SCHEMBL5090378

SCHEMBL5090378

CCc1nn(-c2ccccc2OC)c(Nc2ccc(C)cc2C(=O)OC)c1C(N)=S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
ADORA1 P30542 8/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSP90AA1 P07900 1/20 0.39
ALDH1A1 P00352 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 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
SCHEMBL5089527 0.91 ADORA1 (0.47) SCN9AADORA1MAPTNPSR1KDM4E
SCHEMBL14288887 0.83 MAPT (0.40) SCN9AADORA1MAPTHTTNPSR1
SCHEMBL5087429 0.79 ADORA1 (0.43) SCN9AADORA1MAPTHTTNPSR1
SCHEMBL5089402 0.79 ADORA1 (0.39) SCN9AADORA1MAPTHTTNPSR1
SCHEMBL5090419 0.73 ADORA1 (0.48) ADORA1
SCHEMBL5087438 0.72 ADORA1 (0.46) ADORA1MAPTHTTKDM4ETSHR
SCHEMBL5089522 0.72 ADORA1 (0.46) ADORA1MAPTHTTKDM4E
SCHEMBL5089431 0.71 ADORA1 (0.45) ADORA1KDM4EHSD17B10GAA
SCHEMBL1820321 0.71 ADORA1 (0.54) ADORA1ALDH1A1KDM4EHSD17B10GAA
SCHEMBL5090423 0.68 ADORA1 (0.62) ADORA1MAPTKDM4EGAAPKM

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 SCN9A 3511/4885ADORA1 680/4885MAPT 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.