SCHEMBL1340108

SCHEMBL1340108

Nc1nccc(C(F)(F)F)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.41
ADORA2A P29274 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
ACHE P22303 1/20 0.40
ASIC3 Q9UHC3 1/20 0.38
AURKA O14965 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PRKACA P17612 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
BACE1 P56817 2/20 0.38
DPP4 P27487 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FABP4 P15090 1/20 0.37
MAPK1 P28482 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
SCHEMBL28204343 0.80 POLB (0.46) L3MBTL1POLBNPC1MAPTRAB9A
SCHEMBL28464543 0.77 BACE1 (0.47) L3MBTL1BACE1MAPK1HSD17B10NR1H2
SCHEMBL25422381 0.76 USP7 (0.51) L3MBTL1POLBADORA2AADORA3ADORA1
SCHEMBL19462191 0.75 PRKACA (0.44) L3MBTL1ADORA2AASIC3AURKAHSP90AA1
SCHEMBL15865506 0.73 NOS2 (0.54) ADORA2AASIC3AURKAHSP90AA1PRKACA
SCHEMBL3781200 0.73 FABP4 (0.47) L3MBTL1POLBADORA2AADORA3ADORA1
SCHEMBL29360194 0.73 GSK3B (0.46) L3MBTL1ADORA2AASIC3AURKAHSP90AA1
SCHEMBL4647645 0.73 GSK3B (0.46) L3MBTL1ADORA2AASIC3AURKAHSP90AA1
SCHEMBL29435659 0.72 NOS3 (0.46) POLBBACE1MAPK1HSD17B10HTT
SCHEMBL157195 0.72 NOS3 (0.46) POLBBACE1MAPK1HSD17B10HTT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228366-B1 Method for producing 2-amino-4-(halogenalkyl)pyridine derivatives by means of cyclization of suitable nitrile precursors with nitrogen combinations ARCHIMICA GMBH (DE) 2011-12-28 EP disclosed
US-8063226-B2 Process for preparing 2-amino-4-(haloalkyl) pyridine derivatives by cyclizing suitable nitrile precursors with nitrogen compounds ARCHIMICA GMBH (DE) 2011-11-22 US disclosed
US-8063226-B2 Process for preparing 2-amino-4-(haloalkyl) pyridine derivatives by cyclizing suitable nitrile precursors with nitrogen compounds ARCHIMICA GMBH (DE) 2011-11-22 US disclosed
US-8063226-B2 Process for preparing 2-amino-4-(haloalkyl) pyridine derivatives by cyclizing suitable nitrile precursors with nitrogen compounds ARCHIMICA GMBH (DE) 2011-11-22 US disclosed
US-20100234607-A1 Process for preparing 2-amino-4- (haloalkyl) pyridine derivatives by cyclizing suitable nitrile precursors with nitrogen compounds EUTICALS GMBH (DE) 2010-09-16 US disclosed
US-20100234607-A1 Process for preparing 2-amino-4- (haloalkyl) pyridine derivatives by cyclizing suitable nitrile precursors with nitrogen compounds EUTICALS GMBH (DE) 2010-09-16 US disclosed
US-20100234607-A1 Process for preparing 2-amino-4- (haloalkyl) pyridine derivatives by cyclizing suitable nitrile precursors with nitrogen compounds EUTICALS GMBH (DE) 2010-09-16 US disclosed
EP-2228366-A1 Method for producing 2-amino-4-(halogenalkyl)pyridine derivatives by means of cyclization of suitable nitrile precursors with nitrogen combinations Archimica GmbH (DE) 2010-09-15 EP disclosed
EP-2228366-A1 Method for producing 2-amino-4-(halogenalkyl)pyridine derivatives by means of cyclization of suitable nitrile precursors with nitrogen combinations Archimica GmbH (DE) 2010-09-15 EP disclosed
EP-0619804-A1 HERBICIDAL ACYLATED AMINO-(PHENYL- OR PYRIDINYL- OR THIENYL-)-PHENYL DERIVATIVES. DU PONT (US) 1994-10-19 EP 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-20100234607-A1 Process for preparing 2-amino-4- (haloalkyl) pyridine derivatives by cyclizing suitable nitrile precursors with nitrogen compounds NISCH, NIT2, ASNS L3MBTL1 4875/4885POLB 427/4885ADORA2A 1677/4885

“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.