SCHEMBL185397

SCHEMBL185397

CNc1nc(C(F)(F)F)nc2c1ncn2Cc1ccccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 1.00
PDE4B Q07343 10/20 1.00
PDE4C Q08493 10/20 1.00
PDE4D Q08499 10/20 1.00
PDE5A O76074 3/20 1.00
PDE1A P54750 3/20 1.00
PDE1B Q01064 3/20 1.00
PDE1C Q14123 3/20 1.00
PDE3B Q13370 3/20 0.66
PDE3A Q14432 3/20 0.66
YTHDC1 Q96MU7 7/20 0.62
AXL P30530 1/20 0.48
FLT3 P36888 1/20 0.48
MERTK Q12866 1/20 0.48

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
SCHEMBL29798952 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3141400 0.90 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3141383 0.88 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9738428 0.87 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3146230 0.86 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3133509 0.86 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL1321678 0.86 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL27993590 0.85 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4460149 0.85 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3133797 0.84 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2828242-B1 NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYLATE AS AGONIST OF THE ß2 ADRENERGIC RECEPTOR. ALMIRALL SA (ES) 2017-10-04 EP claimed
US-9346759-B2 Polymorphic crystal forms of 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-(R)-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one, heminapadisytlate as agonist of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2016-05-24 US claimed
US-20150065471-A1 SALTS OF 5-[(1R)-2-(AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE ALMIRALL, S.A. (ES) 2015-03-05 US claimed
US-20150057256-A1 NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2--1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYTLATE AS AGONIST OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL S.A. (ES) 2015-02-26 US claimed
EP-2834219-A1 SALTS OF 5-[(1R)-2-({2-[4-(2,2-DIFLUORO-2-PHENYLETHOXY)PHENYL]ETHYL}AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE Almirall S.A. (ES) 2015-02-11 EP claimed
EP-2828242-A1 NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYLATE AS AGONIST OF THE ß2 ADRENERGIC RECEPTOR. Almirall S.A. (ES) 2015-01-28 EP claimed
US-8563731-B2 Mesylate salt of 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]jamino}-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one as agonist of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2013-10-22 US claimed
WO-2013149959-A1 SALTS OF 5-[(1R)-2-({2-[4-(2,2-DIFLUORO-2-PHENYLETHOXY)PHENYL]ETHYL}AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE ALMIRALL, S.A. (ES) 2013-10-10 WO claimed
EP-2647627-A1 Salts of 5-[(1r)-2-({2-[4-(2,2-difluoro-2-phenylethoxy)phenyl] ethyl}amino)-1-hydroxyethyl]-8-hydroxyquinolin-2(1h)-one. Almirall, S.A. (ES) 2013-10-09 EP claimed
WO-2013139712-A1 NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYLATE AS AGONIST OF THE β2 ADRENERGIC RECEPTOR. ALMIRALL, S.A. (ES) 2013-09-26 WO claimed
EP-2121615-A1 NAPADISYLATE SALT OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA 2 ADRENERGIC RECEPTOR Almirall, S.A. (ES) 2009-11-25 EP claimed
US-20090221613-A1 Use of Adenine-Derived Compounds for the Treatment of Lupus CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS). (FR) 2009-09-03 US claimed
EP-1996200-A1 USE OF ADENINE-DERIVED COMPOUNDS FOR THE TREATMENT OF LUPUS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-12-03 EP claimed
WO-2008095720-A1 NAPADISYLATE SALT OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA 2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2008-08-14 WO claimed
WO-2007101850-A1 USE OF ADENINE-DERIVED COMPOUNDS FOR THE TREATMENT OF LUPUS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-09-13 WO claimed
US-20040242598-A1 Phosphodiesterase 4 inhibitors LIU RUIPING (US) 2004-12-02 US claimed
CN-1501927-A Trifluoromethylpurines as phosphodiesterase 4 inhibitors 记忆药物公司 2004-06-02 CN claimed
EP-1383767-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2004-01-28 EP claimed
US-20030045533-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-03-06 US claimed
WO-2002098878-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2002-12-12 WO claimed

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-20030045533-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20090221613-A1 Use of Adenine-Derived Compounds for the Treatment of Lupus SSB, PNP, NAMPT PDE4A 546/4885PDE4B 418/4885PDE4C 391/4885
US-20150057256-A1 NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2--1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYTLATE AS AGONIST OF THE BETA2 ADRENERGIC RECEPTOR ADRA2C, ADRB2, ADRA2A PDE4A 367/4885PDE4B 274/4885PDE4C 462/4885
US-20040242598-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20150065471-A1 SALTS OF 5-[(1R)-2-(AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE SULT2A1, SULT1E1, SULT1A1 PDE4A 4246/4885PDE4B 4063/4885PDE4C 3931/4885

“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.