SCHEMBL179263

SCHEMBL179263

CC(C)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.47
▸ LOX P28300 1/20 0.46
▸ NOTUM Q6P988 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ AR P10275 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ SMARCA2 P51531 1/20 0.37
▸ SMARCA4 P51532 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ FAAH O00519 1/20 0.37

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
SCHEMBL20889866 0.88 LMNA (0.37) LOXL2LOXKDM5BTLR9TLR8
SCHEMBL11994324 0.86 IDH1 (0.39) LOXL2LOXKDM5BTLR9TLR8
SCHEMBL20786040 0.85 LOXL2 (0.44) LOXL2LOXNOTUMIDO1AR
SCHEMBL20786041 0.85 LOXL2 (0.44) LOXL2LOXNOTUMIDO1AR
SCHEMBL30385454 0.85 LOXL2 (0.49) LOXL2LOXNOTUMIDO1AR
SCHEMBL17981965 0.85 LOXL2 (0.49) LOXL2LOXNOTUMIDO1AR
SCHEMBL17000209 0.85 LOXL2 (0.44) LOXL2LOXNOTUMIDO1AR
SCHEMBL28803145 0.85 LOXL2 (0.49) LOXL2LOXNOTUMIDO1AR
SCHEMBL30007099 0.85 LOXL2 (0.49) LOXL2LOXNOTUMIDO1AR
SCHEMBL18019817 0.85 LOXL2 (0.49) LOXL2LOXNOTUMIDO1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151465-A1 PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION MERCK SHARP & DOHME LLC (US) 2024-07-18 — — WO disclosed
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 — — US disclosed
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 — — US disclosed
US-20240228535-A1 PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION MERCK SHARP & DOHME LLC (US) 2024-07-11 — — US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 — — US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 — — US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 — — US disclosed
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF HANGZHOU POLYMED BIOPHARMACEUTICALS, INC. (CN) 2024-06-27 — — US disclosed
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF HANGZHOU POLYMED BIOPHARMACEUTICALS, INC. (CN) 2024-06-27 — — US disclosed
WO-2024073383-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2024-04-04 — — WO disclosed
WO-2009146358-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-12-03 — — WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 — — WO disclosed
WO-2009108657-A2 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-03 — — WO disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 — — US disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 — — US disclosed
WO-2009088986-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 — — WO disclosed
WO-2009088990-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 — — WO disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 — — US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 — — US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 — — 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 (9 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV LOXL2 1207/4885LOX 409/4885NOTUM 3091/4885
US-20240228535-A1 PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION PRSS1, PRSS2, ACE2 LOXL2 3833/4885LOX 1881/4885NOTUM 638/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 LOXL2 3105/4885LOX 2543/4885NOTUM 2964/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD LOXL2 1995/4885LOX 2109/4885NOTUM 1909/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 LOXL2 3282/4885LOX 3071/4885NOTUM 3997/4885
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 LOXL2 2926/4885LOX 2415/4885NOTUM 2178/4885
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 LOXL2 3011/4885LOX 2721/4885NOTUM 3928/4885
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF IRAK4, FLT3, IRAK2 LOXL2 2455/4885LOX 3101/4885NOTUM 146/4885
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MAT1A, AMD1, MAT2B LOXL2 2201/4885LOX 2469/4885NOTUM 57/4885

“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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