SCHEMBL5087413

SCHEMBL5087413

COc1ccc(Nc2c(-c3cc4cc(F)ccc4s3)c(C)nn2-c2ccccc2C)c(C(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 19/20 0.72
ADORA3 P0DMS8 1/20 0.60
ADORA2B P29275 2/20 0.48
ADORA2A P29274 1/20 0.48
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL5090956 0.92 ADORA1 (0.72) ADORA1ADORA3ADORA2BADORA2AKDM4E
SCHEMBL5090387 0.91 ADORA1 (0.72) ADORA1ADORA3ADORA2BADORA2AKDM4E
SCHEMBL5090326 0.91 ADORA1 (0.67) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL5096733 0.87 ADORA1 (0.72) ADORA1ADORA3ADORA2BADORA2AKDM4E
SCHEMBL5096006 0.85 ADORA1 (0.75) ADORA1ADORA3ADORA2BADORA2AKDM4E
SCHEMBL5007774 0.84 ADORA1 (0.81) ADORA1ADORA3ADORA2BADORA2AKDM4E
SCHEMBL5008485 0.84 ADORA1 (0.79) ADORA1ADORA3ADORA2BADORA2AKDM4E
SCHEMBL5008333 0.84 ADORA1 (0.79) ADORA1ADORA3ADORA2BADORA2AKDM4E
SCHEMBL5089485 0.83 ADORA1 (0.72) ADORA1ADORA3ADORA2BADORA2AKDM4E
SCHEMBL5087424 0.83 ADORA1 (0.72) ADORA1ADORA3ADORA2BADORA2AKDM4E

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 187/4885ADORA2B 639/4885

“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.