SCHEMBL3598739

SCHEMBL3598739

Cn1cc(Oc2cc(Br)cnc2N)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.36
SHMT2 P34897 1/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 1/20 0.36
MET P08581 1/20 0.36
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CREBBP Q92793 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
MEN1 O00255 3/20 0.33
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR3 P22607 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.33
CGAS Q8N884 1/20 0.32
ALK Q9UM73 1/20 0.32

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
SCHEMBL1328514 0.73 KMT2A (0.45) KMT2AHTTMETKDM4EMEN1
SCHEMBL1328984 0.72 GCK (0.47) KMT2AHTTMETMEN1POLB
SCHEMBL15403847 0.71 MET (0.47) SHMT2KMT2AHTTMETMEN1
SCHEMBL1329121 0.70 SLC6A4 (0.46) KMT2AHTTMETKDM4E
SCHEMBL1330918 0.70 HTT (0.45) KMT2AHTT
SCHEMBL30934763 0.69 MET (0.40) SHMT2KMT2AHTTMETHSD17B10
SCHEMBL29273637 0.69 MET (0.40) SHMT2KMT2AHTTMETHSD17B10
SCHEMBL9255 0.66 HTT (0.54) SHMT2KMT2AHTTMETMEN1
SCHEMBL30935008 0.66 FGFR1 (0.42) METFGFR1FGFR2FGFR3
SCHEMBL29273539 0.66 FGFR1 (0.42) METFGFR1FGFR2FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362037-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2013-01-29 US disclosed
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPPHARMA INC. (US) 2010-04-29 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 (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-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 BRD4 2278/4885SHMT2 185/4885KMT2A 1406/4885

“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.