SCHEMBL1344896

SCHEMBL1344896

CN(C)c1cc(C(F)(F)F)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.52
NOS2 P35228 1/20 0.52
PROKR1 Q8TCW9 2/20 0.42
POLQ O75417 1/20 0.42
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRB1 P08588 1/20 0.40
ADRB2 P07550 1/20 0.40
MDM2 Q00987 1/20 0.40
MET P08581 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
AURKA O14965 1/20 0.37
IDH2 P48735 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL19192034 0.86 CYP1A2 (0.41) NOS3NOS2PROKR1POLQMAPK1
SCHEMBL3216629 0.85 NOS3 (0.53) NOS3NOS2POLQMAPK1CYP1A2
SCHEMBL8979102 0.82 NOS3 (0.46) NOS3NOS2POLQMAPK1ADRB1
SCHEMBL30695508 0.82 NOS3 (0.46) NOS3NOS2PROKR1POLQMAPK1
SCHEMBL803102 0.82 CYP1A2 (0.40) NOS3NOS2PROKR1MAPK1CYP1A2
SCHEMBL14547839 0.80 NOS3 (0.44) NOS3NOS2PROKR1POLQMAPK1
SCHEMBL27799117 0.79 NOS3 (0.47) NOS3NOS2POLQMAPK1ADRB1
SCHEMBL13570887 0.79 POLQ (0.45) NOS3NOS2PROKR1POLQHSD17B10
SCHEMBL26988024 0.78 PROKR1 (0.35) NOS3NOS2PROKR1POLQMAPK1
SCHEMBL23839470 0.77 AR (0.48) NOS3NOS2POLQMAPK1CYP3A4

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 8 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
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-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

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 NOS3 138/4885NOS2 16/4885PROKR1 2878/4885

“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.