SCHEMBL439221

SCHEMBL439221

O=C(O)c1cnc(OCC(F)(F)F)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.38
POLB P06746 2/20 0.38
RXRA P19793 2/20 0.38
MAPK1 P28482 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
TTR P02766 1/20 0.37
ASPH Q12797 1/20 0.36
HNF4A P41235 1/20 0.36
GABRA5 P31644 1/20 0.36
CNR1 P21554 1/20 0.36
PTGS2 P35354 1/20 0.35
EPHX2 P34913 1/20 0.35
P4HA1 P13674 1/20 0.35
MIF P14174 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL30862546 0.84 NOTUM (0.50) L3MBTL1ALDH1A1POLBMAPK1GABRA5
SCHEMBL440238 0.84 NOTUM (0.50) L3MBTL1ALDH1A1POLBMAPK1GABRA5
SCHEMBL2716927 0.83 L3MBTL1 (0.55) L3MBTL1ALDH1A1MRGPRX4POLBRXRA
SCHEMBL2716074 0.83 L3MBTL1 (0.55) L3MBTL1ALDH1A1MRGPRX4POLBRXRA
SCHEMBL2715270 0.82 L3MBTL1 (0.51) L3MBTL1ALDH1A1MRGPRX4POLBRXRA
SCHEMBL2715676 0.82 L3MBTL1 (0.54) L3MBTL1ALDH1A1MRGPRX4POLBRXRA
SCHEMBL14762361 0.82 L3MBTL1 (0.54) L3MBTL1ALDH1A1MRGPRX4POLBRXRA
SCHEMBL2714025 0.82 L3MBTL1 (0.54) L3MBTL1ALDH1A1MRGPRX4POLBRXRA
SCHEMBL2716993 0.81 L3MBTL1 (0.52) L3MBTL1ALDH1A1MRGPRX4POLBRXRA
SCHEMBL2715678 0.81 L3MBTL1 (0.52) L3MBTL1ALDH1A1MRGPRX4POLBRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122172-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC 2025-04-17 US disclosed
US-20230075774-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-03-09 US disclosed
US-11279691-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors DART NEUROSCIENCE LLC (US) 2022-03-22 US disclosed
CN-108299400-B Substituted pyridine and substituted pyrazine compounds as PDE4 inhibitors 达特神经科学(开曼)有限公司 2021-02-19 CN disclosed
EP-3345902-B1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-10-30 EP disclosed
US-20180346448-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2018-12-06 US disclosed
EP-3345902-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS Dart NeuroScience (Cayman) Ltd (KY) 2018-07-11 EP disclosed
EP-2970212-B1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2018-04-25 EP disclosed
EP-3074400-B1 OCTAHYDRO-CYCLOBUTA [1,2-C;3,4-C']DIPYRROLE DERIVATIVES AS AUTOTAXIN INHIBITORS HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-8227491-B2 5-(3,4-dichloro-phenyl)-N-(2-hydroxy-cyclohexyl)-6-(2,2,2-trifluoro-ethoxy)-nicotinamide and salts thereof HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
EP-2475645-A1 5- (3, 4-DICHLORO-PHENYL) -N- (2-HYDROXY-CYCLOHEXYL) -6- (2,2, 2-TRIFLUORO-ETHOXY) -NICO TINAMIDE AND SALTS THEREOF AS HDL CHOLESTEROL RAISING AGENTS F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
WO-2011029827-A1 5- (3, 4-DICHLORO-PHENYL) -N- (2-HYDROXY-CYCLOHEXYL) -6- (2,2, 2-TRIFLUORO-ETHOXY) -NICO TINAMIDE AND SALTS THEREOF AS HDL CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
WO-2011029827-A1 5- (3, 4-DICHLORO-PHENYL) -N- (2-HYDROXY-CYCLOHEXYL) -6- (2,2, 2-TRIFLUORO-ETHOXY) -NICO TINAMIDE AND SALTS THEREOF AS HDL CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110065759-A1 5-(3,4-DICHLORO-PHENYL)-N-(2-HYDROXY-CYCLOHEXYL)-6-(2,2,2-TRIFLUORO-ETHOXY)-NICOTINAMIDE AND SALTS THEREOF HOFFMANN-LA ROCHE, INC. 2011-03-17 US disclosed
US-20110065759-A1 5-(3,4-DICHLORO-PHENYL)-N-(2-HYDROXY-CYCLOHEXYL)-6-(2,2,2-TRIFLUORO-ETHOXY)-NICOTINAMIDE AND SALTS THEREOF HOFFMANN-LA ROCHE, INC. 2011-03-17 US disclosed
US-20110065759-A1 5-(3,4-DICHLORO-PHENYL)-N-(2-HYDROXY-CYCLOHEXYL)-6-(2,2,2-TRIFLUORO-ETHOXY)-NICOTINAMIDE AND SALTS THEREOF HOFFMANN-LA ROCHE, INC. 2011-03-17 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 (6 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-20180346448-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D L3MBTL1 4719/4885ALDH1A1 1288/4885MRGPRX4 162/4885
US-20250122172-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D L3MBTL1 4719/4885ALDH1A1 1288/4885MRGPRX4 162/4885
US-20230075774-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D L3MBTL1 4719/4885ALDH1A1 1288/4885MRGPRX4 162/4885
US-11279691-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors PDE4A, PDE4B, PDE4D L3MBTL1 4723/4885ALDH1A1 1356/4885MRGPRX4 163/4885
US-20110065759-A1 5-(3,4-DICHLORO-PHENYL)-N-(2-HYDROXY-CYCLOHEXYL)-6-(2,2,2-TRIFLUORO-ETHOXY)-NICOTINAMIDE AND SALTS THEREOF NNT, PCSK9, NADK L3MBTL1 4141/4885ALDH1A1 760/4885MRGPRX4 4510/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR L3MBTL1 586/4885ALDH1A1 569/4885MRGPRX4 665/4885

“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.