SCHEMBL17570895

SCHEMBL17570895

COc1cc(NC(=O)C(F)(F)F)c(-c2c(NC(C)=O)ccc3ccccc23)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
ATM Q13315 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL17559536 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL20960298 0.78 KDM4E (0.39) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL17559537 0.77 LMNA (0.53) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL20436327 0.73 ALDH1A1 (0.57) CYP1A2KMT2AALDH1A1GAAKDM4E
SCHEMBL10609908 0.72 KDM4E (0.54) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL20625930 0.70 HDAC1 (0.45) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL6811081 0.69 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL3600530 0.69 L3MBTL1 (0.59) CYP2C19MEN1KMT2AALDH1A1HPGD
SCHEMBL2226280 0.68 PDK1 (0.72) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL19451109 0.68 PARP14 (0.56) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E

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 10 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-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
WO-2016034332-A1 2,2'-DIAMINO BIARYLS WITH PHTHALOYL-GROUPS OR SUCCINOYL-GROUPS 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20170298013-A1 2,2' -DIAMINO BIARYLS WITH TWO SECONDARY AMINES AND PRODUCTION THEREOF BY ELECTROCHEMICAL COUPLING PM20D2, XDH, DAO CYP1A2 44/4885CYP2C9 239/4885CYP2C19 395/4885
US-20170291871-A1 2,2' -DIAMINOBIARYLS HAVING ONE PRIMARY AND ONE SECONDARY AMINE SAT1, AOC1, DDT CYP1A2 2083/4885CYP2C9 3680/4885CYP2C19 3254/4885
US-20170283961-A1 2,2' -DIAMINOBIARYLS HAVING TWO SECONDARY AMINES AOC1, DDT, DDC CYP1A2 1324/4885CYP2C9 2919/4885CYP2C19 2705/4885
US-20170305846-A1 2,2' -DIAMINOBIARYLS HAVING A PHTHALOYL GROUP OR SUCCINOYL GROUP SUCLA2, SPATS2L, SUCLG2 CYP1A2 3692/4885CYP2C9 3517/4885CYP2C19 3640/4885
US-10196747-B2 2,2′-diaminobiaryls having two secondary amines AOC1, DDT, DDC CYP1A2 1412/4885CYP2C9 2984/4885CYP2C19 2737/4885

“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.