SCHEMBL4440336

SCHEMBL4440336

COc1ccc(NC(=O)C(F)(F)F)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 1.00
CYP2C19 P33261 2/20 1.00
CYP2C9 P11712 1/20 1.00
IMPDH2 P12268 1/20 0.59
IMPDH1 P20839 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
MEN1 O00255 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 2/20 0.51

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
SCHEMBL20646201 0.87 CYP1A2 (0.77) CYP1A2CYP2C19CYP2C9IMPDH2IMPDH1
SCHEMBL23088434 0.87 CYP1A2 (0.77) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL9823917 0.87 CYP1A2 (0.77) CYP1A2CYP2C19CYP2C9IMPDH2IMPDH1
SCHEMBL29792811 0.87 CYP1A2 (0.77) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL14720795 0.86 CYP1A2 (0.75) CYP1A2CYP2C19CYP2C9IMPDH2IMPDH1
SCHEMBL19411114 0.86 CYP1A2 (0.75) CYP1A2CYP2C19CYP2C9IMPDH2IMPDH1
SCHEMBL13881965 0.86 CYP2C9 (0.75) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL7871733 0.86 CYP1A2 (0.75) CYP1A2CYP2C19CYP2C9IMPDH2IMPDH1
SCHEMBL8102792 0.85 CYP1A2 (0.73) CYP1A2CYP2C19CYP2C9IMPDH2IMPDH1
SCHEMBL21167297 0.84 CYP1A2 (0.73) CYP1A2CYP2C19CYP2C9IMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189030-B1 2,2' -DIAMINO BIARYLS WITH TWO SECONDARY AMINES AND PRODUCTION THEREOF BY ELECTROCHEMICAL COUPLING EVONIK DEGUSSA GMBH (DE) 2019-05-01 EP disclosed
US-10196747-B2 2,2′-diaminobiaryls having two secondary amines EVONIK DEGUSSA GMBH (DE) 2019-02-05 US disclosed
US-10131628-B2 2,2′-diaminobiaryls having a phthaloyl group or succinoyl group EVONIK DEGUSSA GMBH (DE) 2018-11-20 US disclosed
US-10125093-B2 2,2′-diaminobiaryls having one primary and one secondary amine EVONIK DEGUSSA GMBH (DE) 2018-11-13 US disclosed
US-20170305846-A1 2,2' -DIAMINOBIARYLS HAVING A PHTHALOYL GROUP OR SUCCINOYL GROUP EVONIK DEGUSSA GMBH (DE) 2017-10-26 US disclosed
US-20170298013-A1 2,2' -DIAMINO BIARYLS WITH TWO SECONDARY AMINES AND PRODUCTION THEREOF BY ELECTROCHEMICAL COUPLING EVONIK DEGUSSA GMBH (DE) 2017-10-19 US disclosed
US-20170291871-A1 2,2' -DIAMINOBIARYLS HAVING ONE PRIMARY AND ONE SECONDARY AMINE EVONIK DEGUSSA GMBH (DE) 2017-10-12 US disclosed
US-20170283961-A1 2,2' -DIAMINOBIARYLS HAVING TWO SECONDARY AMINES EVONIK DEGUSSA GMBH (DE) 2017-10-05 US disclosed
EP-3189031-A1 2,2' -DIAMINO BIARYLS WITH A PRIMARY AND A SECONDARY AMINE AND PRODUCTION THEREOF BY ELECTROCHEMICAL COUPLING Evonik Degussa GmbH (DE) 2017-07-12 EP disclosed
EP-3189034-A1 2,2'-DIAMINO BIARYLS WITH PHTHALOYL-GROUPS OR SUCCINOYL-GROUPS Evonik Degussa GmbH (DE) 2017-07-12 EP disclosed
EP-3189032-A1 NOVEL 2,2' -DIAMINO BIARYLS WITH TWO SECONDARY AMINES AND PRODUCTION THEREOF BY ELECTROCHEMICAL COUPLING Evonik Degussa GmbH (DE) 2017-07-12 EP disclosed
EP-3189030-A1 2,2' -DIAMINO BIARYLS WITH TWO SECONDARY AMINES AND PRODUCTION THEREOF BY ELECTROCHEMICAL COUPLING Evonik Degussa GmbH (DE) 2017-07-12 EP disclosed
CN-106604910-A 2, 2-diaminobiaryls with two secondary amines and their preparation by electrochemical coupling 赢创德固赛有限公司 2017-04-26 CN disclosed
WO-2016034327-A1 2,2' -DIAMINO BIARYLS WITH TWO SECONDARY AMINES AND PRODUCTION THEREOF BY ELECTROCHEMICAL COUPLING EVONIK DEGUSSA GMBH (DE) 2016-03-10 WO disclosed
WO-2016034330-A1 NOVEL 2,2' -DIAMINO BIARYLS WITH TWO SECONDARY AMINES AND PRODUCTION THEREOF BY ELECTROCHEMICAL COUPLING EVONIK DEGUSSA GMBH (DE) 2016-03-10 WO disclosed
WO-2016034328-A1 2,2' -DIAMINO BIARYLS WITH A PRIMARY AND A SECONDARY AMINE AND PRODUCTION THEREOF BY ELECTROCHEMICAL COUPLING EVONIK DEGUSSA GMBH (DE) 2016-03-10 WO disclosed
WO-2016034332-A1 2,2'-DIAMINO BIARYLS WITH PHTHALOYL-GROUPS OR SUCCINOYL-GROUPS EVONIK DEGUSSA GMBH (DE) 2016-03-10 WO disclosed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 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 (7 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-10125093-B2 2,2′-diaminobiaryls having one primary and one secondary amine SAT1, AOC1, DDT CYP1A2 2142/4885CYP2C19 3236/4885CYP2C9 3705/4885
US-20170298013-A1 2,2' -DIAMINO BIARYLS WITH TWO SECONDARY AMINES AND PRODUCTION THEREOF BY ELECTROCHEMICAL COUPLING PM20D2, XDH, DAO CYP1A2 44/4885CYP2C19 395/4885CYP2C9 239/4885
US-20170291871-A1 2,2' -DIAMINOBIARYLS HAVING ONE PRIMARY AND ONE SECONDARY AMINE SAT1, AOC1, DDT CYP1A2 2083/4885CYP2C19 3254/4885CYP2C9 3680/4885
US-20170283961-A1 2,2' -DIAMINOBIARYLS HAVING TWO SECONDARY AMINES AOC1, DDT, DDC CYP1A2 1324/4885CYP2C19 2705/4885CYP2C9 2919/4885
US-20170305846-A1 2,2' -DIAMINOBIARYLS HAVING A PHTHALOYL GROUP OR SUCCINOYL GROUP SUCLA2, SPATS2L, SUCLG2 CYP1A2 3692/4885CYP2C19 3640/4885CYP2C9 3517/4885
US-10131628-B2 2,2′-diaminobiaryls having a phthaloyl group or succinoyl group DDC, PNMT, INMT CYP1A2 1332/4885CYP2C19 2102/4885CYP2C9 1683/4885
US-10196747-B2 2,2′-diaminobiaryls having two secondary amines AOC1, DDT, DDC CYP1A2 1412/4885CYP2C19 2737/4885CYP2C9 2984/4885

“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.