SCHEMBL3291837

SCHEMBL3291837

FC(F)c1cc(C(F)F)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ADORA2A P29274 2/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ POLB P06746 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ MAOA P21397 2/20 0.38
▸ GLA P06280 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ DRD1 P21728 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
SCHEMBL19148204 0.87 MAOA (0.38) TDP1L3MBTL1ADORA2AADORA1ALDH1A1
SCHEMBL29029744 0.81 MYC (0.46) TDP1L3MBTL1ADORA2AADORA1ALDH1A1
SCHEMBL29632453 0.79 MAOA (0.45) TDP1ADORA2AADORA1ALDH1A1POLB
SCHEMBL17673275 0.79 CYP1A2 (0.58) L3MBTL1ALDH1A1POLBKDM4EHPGD
SCHEMBL19148959 0.78 ACHE (0.36) TDP1L3MBTL1KDM4EACHEKCNH2
SCHEMBL19150086 0.78 POLB (0.43) ALDH1A1POLBCHRM1ACHEKMT2A
SCHEMBL19150073 0.78 DHODH (0.37) TDP1L3MBTL1ALDH1A1KDM4EACHE
SCHEMBL19150082 0.77 ADORA2A (0.68) ADORA2AADORA1KDM4EHSD17B10BACE1
SCHEMBL26407107 0.75 HTR3A (0.48) L3MBTL1KDM4ECYP1A2LMNAHTT
SCHEMBL19150075 0.75 ENPP1 (0.44) TDP1L3MBTL1ADORA2AADORA1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-07-09 — — US disclosed
US-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-07-09 — — US disclosed
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-23 — — US disclosed
WO-2019060998-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-04-04 — — WO disclosed
WO-2019060998-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-04-04 — — WO disclosed
US-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 — — US disclosed
EP-3405458-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES Bayer CropScience Aktiengesellschaft (DE) 2018-11-28 — — EP disclosed
CN-108473433-A The method for preparing the quinoline of Polyfluoroalkyl 拜耳作物科学股份公司 2018-08-31 — — CN disclosed
WO-2017125318-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-27 — — WO disclosed
US-9464087-B2 Difluoromethylation of unsaturated compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-11 — — US disclosed
EP-2785723-B1 DIFLUOROMETHYLATION OF UNSATURATED COMPOUNDS SCRIPPS RESEARCH INST (US) 2016-10-05 — — EP disclosed
US-20150011760-A1 Difluoromethylation Of Unsaturated Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-01-08 — — US disclosed
US-7732540-B2 Process for producing olefin copolymerization catalyst and process for producing olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-08 — — US disclosed
US-20090018012-A1 Process for Producing Olefin Copolymerization Catalyst and Process for Producing Olefin Copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-15 — — 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 (4 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-20150011760-A1 Difluoromethylation Of Unsaturated Compounds ZRANB2, FDPS, NISCH TDP1 4665/4885L3MBTL1 3126/4885ADORA2A 4437/4885
US-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES KCNQ1, KCNQ2, KCNQ4 TDP1 2627/4885L3MBTL1 4162/4885ADORA2A 2373/4885
US-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT CYBB, NOX4, NOX3 TDP1 1873/4885L3MBTL1 2191/4885ADORA2A 3232/4885
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines KCNQ1, KCNQ2, KCNQ4 TDP1 2627/4885L3MBTL1 4162/4885ADORA2A 2373/4885

“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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