SCHEMBL4778271

SCHEMBL4778271

CC(C(N)=O)(c1ccccc1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
KMT2A Q03164 1/20 0.59
KCNN4 O15554 8/20 0.47
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PTPN1 P18031 1/20 0.41
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41

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
Hydrochloric Acid SCHEMBL6559024 0.98 MAPT (0.57) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL2308306 0.83 MAPT (0.47) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL13447969 0.83 MAPT (0.47) MAPTKMT2AKCNN4CYP2C19HIF1A
Trifluoroacetic Acid SCHEMBL27504505 0.80 MAPT (0.44) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL1852832 0.80 MAPT (0.44) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL12893821 0.80 MAPT (0.44) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL12233138 0.80 MAPT (0.44) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL10120333 0.80 MAPT (0.44) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL1852835 0.80 MAPT (0.44) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL4565551 0.79 MAPT (0.44) MAPTKMT2AKCNN4CYP2C19HIF1A

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-1451156-A4 4-AMINOQUINOLINE COMPOUNDS MERCK & CO INC (US) 2005-05-25 EP claimed
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP claimed
EP-1451156-A1 4-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP claimed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 WO claimed
WO-2003045920-A1 4-AMINOQUINOLINE COMPOUNDS MERCK & CO., INC. (US) 2003-06-05 WO claimed
EP-4326270-A1 DIAGNOSTIC AND TREATMENT OF CANCER USING C-MET INHIBITOR Apollomics Inc. (US) 2024-02-28 EP disclosed
WO-2022226168-A1 DIAGNOSTIC AND TREATMENT OF CANCER USING C-MET INHIBITOR APOLLOMICS INC. (US) 2022-10-27 WO disclosed
CN-110372492-B Method for synthesizing cinacalcet hydrochloride intermediate by using microchannel reactor 上药康丽(常州)药业有限公司 2022-09-20 CN disclosed
WO-2020244968-A1 FUNGICIDAL N-(PYRID-3-YL)CARBOXAMIDES BASF SE (DE) 2020-12-10 WO disclosed
US-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
EP-3291817-A1 HETEROARYL-PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-03-14 EP disclosed
WO-2016179059-A1 HETEROARYL-PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-10 WO disclosed
EP-2912021-A1 AGGRECANASE INHIBITORS Eli Lilly and Company (US) 2015-09-02 EP disclosed
WO-2014066151-A1 AGGRECANASE INHIBITORS ELI LILLY AND COMPANY (US) 2014-05-01 WO disclosed
EP-2635578-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES Hengrui (USA) Ltd. (US) 2013-09-11 EP disclosed
WO-2012088411-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PAMLICO PHARMACEUTICAL INC. (US) 2012-06-28 WO disclosed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 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 (1 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-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES BRD4, BICRA, NDUFC2 MAPT 3475/4885KMT2A 2242/4885KCNN4 560/4885

“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.