SCHEMBL12553100

SCHEMBL12553100

Cc1oc(-c2cccc(F)c2)nc1CSc1nc(N)c(C#N)c(-c2ccc(OC[C@@H]3COC(C)(C)O3)cc2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 16/20 0.44
▸ ADORA2B P29275 10/20 0.44
▸ ADORA2A P29274 3/20 0.43
▸ ADORA3 P0DMS8 2/20 0.42
▸ HTR1B P28222 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ SLC6A3 Q01959 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
SCHEMBL12552925 1.00 ADORA1 (0.44) ADORA1ADORA2BADORA2AADORA3HTR1B
SCHEMBL12163920 0.93 ADORA1 (0.47) ADORA1ADORA2BADORA2AADORA3HTR1B
SCHEMBL12553034 0.93 ADORA1 (0.47) ADORA1ADORA2BADORA2AADORA3HTR1B
SCHEMBL12534958 0.92 ADORA1 (0.37) ADORA1ADORA2BADORA2AADORA3HTR1B
SCHEMBL12534961 0.92 ADORA1 (0.37) ADORA1ADORA2BADORA2AADORA3HTR1B
SCHEMBL12552952 0.91 ADORA1 (0.45) ADORA1ADORA2BADORA2AADORA3HTR1B
SCHEMBL12552950 0.91 ADORA1 (0.45) ADORA1ADORA2BADORA2AADORA3HTR1B
SCHEMBL12553046 0.91 ADORA1 (0.43) ADORA1ADORA2BADORA2AADORA3HTR1B
SCHEMBL12163882 0.91 ADORA1 (0.43) ADORA1ADORA2BADORA2AADORA3HTR1B
SCHEMBL12552840 0.90 ADORA1 (0.49) ADORA1ADORA2BADORA2AADORA3HTR1B

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-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
WO-2009015776-A1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 — — 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 (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 3694/4885ADORA2A 2887/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT ADORA1 2450/4885ADORA2B 3238/4885ADORA2A 2074/4885

“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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