SCHEMBL803208

SCHEMBL803208

Cc1nn(C)c(F)c1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL12872368 0.82 TSHR (0.34) ADORA2AADORA2BTSHR
SCHEMBL13868048 0.79
SCHEMBL18427027 0.79
SCHEMBL21719520 0.79
SCHEMBL12733049 0.77
SCHEMBL8744682 0.76 KDM4E (0.35) ADORA2AADORA2BTSHR
SCHEMBL21719768 0.76
SCHEMBL21719981 0.76
SCHEMBL12138138 0.74 ADORA2A (0.32) ADORA2AADORA2B
SCHEMBL12859227 0.74 TSHR (0.33) TSHR

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-9556205-B2 Fungicide N-[(trisubstitutedsilyl)methyl]-carboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9556205-B2 Fungicide N-[(trisubstitutedsilyl)methyl]-carboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9545105-B2 1-(heterocyclic carbonyl) piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-17 US disclosed
US-9320277-B2 Fungicide N-cycloalkyl-N-biphenylmethyl-carboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-26 US disclosed
US-20160023987-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-28 US disclosed
US-9173399-B2 Benzocycloalkenes as antifungal agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-8927581-B2 Fungicidal N-(2-pyridylpropyl) carboxamide derivatives and their oxa, aza and thia analogues BAYER CROPSCIENCE AG (DE) 2015-01-06 US disclosed
US-8841332-B2 Fungicidal N-(2-phenoxyethyl)carboxamide derivatives and their aza, thia and sila analogues BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-23 US disclosed
US-20110136874-A1 FUNGICIDAL N-(2-PYRIDYLPROPYL) CARBOXAMIDE DERIVATIVES AND THEIR OXA, AZA AND THIA ANALOGUES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-06-09 US disclosed
US-7932283-B2 Fungicide N-cyclopropyl-sulfonylamide derivatives BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
US-7932283-B2 Fungicide N-cyclopropyl-sulfonylamide derivatives BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
US-20110046152-A1 Amide Compounds, Preparation Methods and Uses Thereof SINOCHEM CORPORATION 2011-02-24 US disclosed
US-20100144817-A1 FUNGICIDEL N-CYCLOALKYL-BENZYL-THIOCARBOXAMIDES OR N-CYCLOALKYL-BENZYL-N'-SUBSTITUTED-AMIDINE DERIVATIVES BAYER SAS (FR) 2010-06-10 US disclosed
US-20100130560-A1 FUNGICIDE 2-PYRIDYL-METHYLENE-THIO CARBOXAMIDE OR 2-PYRIDYL-METHYLENE-N-SUBSTITUTED CARBOXIMIDAMIDE DERIVATIVES BAYER SAS (FR) 2010-05-27 US disclosed
US-20100010048-A1 Fungicide 2-pyridyl-methylene-carboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-01-14 US disclosed
US-20090326016-A1 FUNGICIDAL N-CYCLOALKYL-CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-12-31 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 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 (10 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-20160023987-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS CYP51A1, ERG28, CBR1 ADORA2A 4052/4885ADORA2B 4332/4885TSHR 4193/4885
US-20110046152-A1 Amide Compounds, Preparation Methods and Uses Thereof ACHE, MGAM, PGLS ADORA2A 126/4885ADORA2B 590/4885TSHR 2543/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK ADORA2A 858/4885ADORA2B 1988/4885TSHR 2711/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ADORA2A 858/4885ADORA2B 1988/4885TSHR 2711/4885
US-20100144817-A1 FUNGICIDEL N-CYCLOALKYL-BENZYL-THIOCARBOXAMIDES OR N-CYCLOALKYL-BENZYL-N'-SUBSTITUTED-AMIDINE DERIVATIVES CBR3, NRDC, NAT1 ADORA2A 956/4885ADORA2B 1926/4885TSHR 809/4885
US-20110136874-A1 FUNGICIDAL N-(2-PYRIDYLPROPYL) CARBOXAMIDE DERIVATIVES AND THEIR OXA, AZA AND THIA ANALOGUES PNPO, AZI2, CYP51A1 ADORA2A 408/4885ADORA2B 1290/4885TSHR 1177/4885
US-20100010048-A1 Fungicide 2-pyridyl-methylene-carboxamide derivatives CYP51A1, ME2, ME3 ADORA2A 2970/4885ADORA2B 3753/4885TSHR 3931/4885
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 ADORA2A 3720/4885ADORA2B 4268/4885TSHR 2995/4885
US-20090326016-A1 FUNGICIDAL N-CYCLOALKYL-CARBOXAMIDE DERIVATIVES CBR3, CBR1, CYCS ADORA2A 2714/4885ADORA2B 3025/4885TSHR 2086/4885
US-20100130560-A1 FUNGICIDE 2-PYRIDYL-METHYLENE-THIO CARBOXAMIDE OR 2-PYRIDYL-METHYLENE-N-SUBSTITUTED CARBOXIMIDAMIDE DERIVATIVES CBR3, CBR1, CNPY2 ADORA2A 1044/4885ADORA2B 2157/4885TSHR 749/4885

“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.