SCHEMBL5089527

SCHEMBL5089527

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.47
SCN9A Q15858 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
P2RY1 P47900 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL5090378 0.91 SCN9A (0.40) ADORA1SCN9AKDM4EHSD17B10GAA
SCHEMBL5089431 0.79 ADORA1 (0.45) ADORA1DRD2DRD4ADORA3P2RY1
SCHEMBL1820321 0.78 ADORA1 (0.54) ADORA1DRD2DRD4ADORA3P2RY1
SCHEMBL5090423 0.75 ADORA1 (0.62) ADORA1ADORA3KDM4EGAAMAPT
SCHEMBL14288887 0.75 MAPT (0.40) ADORA1SCN9AKDM4EHSD17B10GAA
SCHEMBL1814360 0.74 ADORA1 (0.49) ADORA1ADORA3KDM4EHSD17B10MAPT
SCHEMBL3311400 0.74 GFER (0.56) ADORA1P2RY1KDM4EHSD17B10GLA
SCHEMBL3304966 0.73 ADORA1 (0.58) ADORA1ADORA3P2RY1KDM4E
SCHEMBL5089486 0.73 ADORA1 (0.55) ADORA1ADORA3
SCHEMBL5089524 0.72 ADORA1 (0.53) ADORA1DRD2DRD4ADORA3

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 680/4885SCN9A 3511/4885DRD2 4131/4885

“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.