SCHEMBL1360422

SCHEMBL1360422

Oc1ccc2ncc(F)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.46
CDK8 P49336 1/20 0.46
CLK2 P49760 1/20 0.46
CDK7 P50613 1/20 0.46
CDK9 P50750 1/20 0.46
CDK5 Q00535 1/20 0.46
ACVR1 Q04771 1/20 0.46
ROCK1 Q13464 1/20 0.46
DYRK1A Q13627 1/20 0.46
LRRK2 Q5S007 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
ESR2 Q92731 5/20 0.42
APP P05067 1/20 0.40
SULT1A1 P50225 1/20 0.40
ESR1 P03372 4/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
AMY1A P0DUB6 1/20 0.38
PDE10A Q9Y233 4/20 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
SCHEMBL4375639 0.84 ESR2 (0.59) ESR2APPSULT1A1ESR1PDGFRB
SCHEMBL21988901 0.84 MAP4K4 (0.54) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL3868339 0.83 BACE1 (0.47) PDGFRBPDGFRAPIK3CAMTORPDE3B
SCHEMBL534471 0.76 DYRK1A (0.46) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL16289378 0.76 MAP4K4 (0.46) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL24207410 0.76 EGFR (0.53) MAP4K4ROCK1APPPDE10APIK3CD
SCHEMBL1359776 0.76 MAP4K4 (0.46) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL5537413 0.76 CYP1A2 (0.57) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL359616 0.76 BACE1 (0.41) MEN1KMT2A
SCHEMBL535151 0.76 MAP4K4 (0.46) MAP4K4CDK8CLK2CDK7CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260098060-A1 MACROCYCLIC CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2026-04-09 US disclosed
US-20260098045-A1 CRYSTALLINE FORM OF (3S,7S,10R,13R)-13-BENZYL-20-FLUORO-7-ISOBUTYL-N-(2-(3-METHOXY-1,2,4-OXADIAZOL-5-YL)ETHYL)-6,9-DIMETHYL-1,5,8,11-TETRAOXO-10-(2,2,2-TRIFLUOROETHYL)-1,2,3,4,5,6,7,8,9,10,11,12,13,14-TETRADECAHYDRO-[1]OXA[4,7,10,14]TETRAAZACYCLOHEPTADECINO[16,17-F]QUINOLINE-3-CARBOXAMIDE IDORSIA PHARMACEUTICALS LTD (CH) 2026-04-09 US disclosed
US-20250268979-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS IDORSIA PHARMACEUTICALS LTD (CH) 2025-08-28 US disclosed
EP-4587443-A1 MACROCYCLIC CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 EP disclosed
EP-4587444-A1 CRYSTALLINE FORM OF (3S,7S,10R,13R)-13-BENZYL-20-FLUORO-7-ISOBUTYL-N-(2-(3-METHOXY-1,2,4-OXADIAZOL-5-YL)ETHYL)-6,9-DIMETHYL-1,5,8,11-TETRAOXO-10-(2,2,2-TRIFLUOROETHYL)-1,2,3,4,5,6,7,8,9,10,11,12,13,14-TETRADECAHYDRO-[1]OXA[4,7,10,14]TETRAAZACYCLOHEPTADECINO[16,17-F]QUINOLINE-3-CARBOXAMIDE Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 EP disclosed
EP-4587012-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 EP disclosed
CN-119998297-A Crystalline forms of (3 s,7s,10r,13 r) -13-benzyl-20-fluoro-7-isobutyl-N- (2- (3-methoxy-1, 2, 4-oxadiazol-5-yl) ethyl) -6, 9-dimethyl-1,5,8,11-tetraoxo-10- (2, 2-trifluoroethyl) -1,2,3,4,5,6,7,8,9,10,11,12,13,14-decatetrahydro- [1] oxa [4,7,10,14] tetraazaheptadecao [16,17-f ] quinoline-3-carboxamide 爱杜西亚药品有限公司 2025-05-13 CN disclosed
CN-119907667-A Combination of macrocyclic CFTR modulators with CFTR corrector and/or CFTR potentiator 爱杜西亚药品有限公司 2025-04-29 CN disclosed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
WO-2024056779-A1 CRYSTALLINE FORM OF (3S,7S,10R,13R)-13-BENZYL-20-FLUORO-7-ISOBUTYL-N-(2-(3-METHOXY-1,2,4-OXADIAZOL-5-YL)ETHYL)-6,9-DIMETHYL-1,5,8,11-TETRAOXO-10-(2,2,2-TRIFLUOROETHYL)-1,2,3,4,5,6,7,8,9,10,11,12,13,14-TETRADECAHYDRO-[1]OXA[4,7,10,14]TETRAAZACYCLOHEPTADECINO[16,17-F]QUINOLINE-3-CARBOXAMIDE IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 WO disclosed
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP disclosed
CN-100540534-C N-alkynyl-2-(aryloxy of replacement) alkylthioamide derivatives as mycocide SYNGENTA LTD (GB) 2009-09-16 CN disclosed
US-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2008-07-17 US disclosed
CN-101115748-A Acetamide compounds as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2008-01-30 CN disclosed
EP-1817309-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES Syngeta Participations AG (CH) 2007-08-15 EP disclosed
US-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides SYNGENTA LIMITED (GB) 2007-02-22 US disclosed
CN-1812966-A N-alkynyl-2- (substituted aryloxy) alkylthioamide derivatives as fungicides SYNGENTA LTD (GB) 2006-08-02 CN disclosed
WO-2006058700-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-08 WO disclosed
EP-1638928-A1 N-ALKYNYL-2-(SUBSTITUTED ARYLOXY)ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES Syngenta Limited (GB) 2006-03-29 EP disclosed
WO-2004108663-A1 N-ALKYNYL-2- (SUBSTITUTED ARYLOXY) ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-12-16 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 (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-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants NAT1, DPM1, AADAC MAP4K4 2387/4885CDK8 1820/4885CLK2 3143/4885
US-20260098060-A1 MACROCYCLIC CFTR MODULATORS CFTR, CLIC1, ARRB1 MAP4K4 4138/4885CDK8 4359/4885CLK2 1070/4885
US-20250268979-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS CFTR, RRS1, PKD1 MAP4K4 4100/4885CDK8 4558/4885CLK2 1953/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 MAP4K4 3787/4885CDK8 4439/4885CLK2 1491/4885
US-20260098045-A1 CRYSTALLINE FORM OF (3S,7S,10R,13R)-13-BENZYL-20-FLUORO-7-ISOBUTYL-N-(2-(3-METHOXY-1,2,4-OXADIAZOL-5-YL)ETHYL)-6,9-DIMETHYL-1,5,8,11-TETRAOXO-10-(2,2,2-TRIFLUOROETHYL)-1,2,3,4,5,6,7,8,9,10,11,12,13,14-TETRADECAHYDRO-[1]OXA[4,7,10,14]TETRAAZACYCLOHEPTADECINO[16,17-F]QUINOLINE-3-CARBOXAMIDE CYP7A1, CYP3A7, SLC10A1 MAP4K4 3783/4885CDK8 2374/4885CLK2 3076/4885
US-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides NAT1, AKR7A2, KCNA2 MAP4K4 1690/4885CDK8 2667/4885CLK2 2646/4885

“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.