SCHEMBL12535023

SCHEMBL12535023

[C-]#[N+]c1c(N)nc(SCc2nc(-c3ccc(OC)cc3F)oc2C)c(C#N)c1-c1ccc(OC[C@H]2COC(C)(C)O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 19/20 0.38
▸ ADORA2B P29275 5/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA2A P29274 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
SCHEMBL12535019 1.00 ADORA1 (0.38) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL12535028 0.93 ADORA1 (0.37) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL12535034 0.93 ADORA1 (0.37) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL12534928 0.93 ADORA1 (0.37) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL12534922 0.93 ADORA1 (0.37) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL12534941 0.92 ADORA1 (0.42) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL12534938 0.92 ADORA1 (0.42) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL15782235 0.92 ADORA1 (0.45) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL13938371 0.92 ADORA1 (0.45) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL12534916 0.91 ADORA1 (0.39) ADORA1ADORA2BADORA3ADORA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 — — US disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 — — US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 — — US disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 — — 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 (2 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-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE AADAC, CYP4X1, AGXT ADORA1 3589/4885ADORA2B 3694/4885ADORA3 3115/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT ADORA1 2450/4885ADORA2B 3238/4885ADORA3 2371/4885

“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.

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