SCHEMBL382471

SCHEMBL382471

N#Cc1c(N)nc(OCc2coc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OCCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 13/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ PRF1 P14222 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.40
▸ RXFP1 Q9HBX9 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ELAVL1 Q15717 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 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
SCHEMBL383022 0.92 ADORA1 (0.46) ADORA1SLC6A3PRF1MAPTKDM4E
SCHEMBL12535500 0.91 ADORA1 (0.43) ADORA1SLC6A3PRF1MAPTKDM4E
SCHEMBL1933429 0.90 ADORA1 (0.43) ADORA1SLC6A3PRF1MAPTKDM4E
SCHEMBL1931865 0.90 ADORA1 (0.46) ADORA1SLC6A3PRF1MAPTKDM4E
SCHEMBL1931422 0.89 ADORA1 (0.41) ADORA1SLC6A3MAPTKDM4EMEN1
SCHEMBL1931420 0.89 ADORA1 (0.41) ADORA1SLC6A3MAPTKDM4EMEN1
SCHEMBL8029952 0.88 ADORA1 (0.43) ADORA1SLC6A3MAPTKDM4EMEN1
SCHEMBL1932589 0.87 ADORA1 (0.41) ADORA1SLC6A3PRF1MAPTKDM4E
SCHEMBL12535121 0.85 ADORA1 (0.41) ADORA1SLC6A3PRF1MAPTKDM4E
SCHEMBL1931047 0.84 ADORA1 (0.43) ADORA1SLC6A3PRF1MAPTKDM4E

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 16 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-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-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 — — US disclosed
US-8609686-B2 Substituted azabicyclic compounds and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-17 — — US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 — — US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 — — US disclosed
EP-2235011-B1 SUBSTITUTED PYRROLO[2, 3-B]AND PYRAZOLO[3, 4-B]PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS Bayer Pharma AG (DE) 2012-01-25 — — EP disclosed
EP-2185550-B1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF Bayer Pharma AG (DE) 2011-11-02 — — EP disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 — — US disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 — — US disclosed
US-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-06 — — US disclosed
US-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-06 — — US disclosed
EP-2185550-A1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF Bayer Schering Pharma AG (DE) 2010-05-19 — — EP disclosed
WO-2009080197-A1 SUBSTITUTED PYRROLO[2, 3-B] AND PYRAZOLO[3, 4-B] PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 — — WO 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 (3 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-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF PPIP5K2, TPMT, PNPO ADORA1 2110/4885SLC6A3 3269/4885PRF1 3192/4885
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE AADAC, CYP4X1, AGXT ADORA1 3589/4885SLC6A3 2005/4885PRF1 4674/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT ADORA1 2450/4885SLC6A3 2093/4885PRF1 4579/4885

“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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