SCHEMBL1330129

SCHEMBL1330129

CN(C)CCNC(=O)c1ccc(Sc2cc(Br)cnc2Nc2nc3cccnc3s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
GSTP1 P09211 1/20 0.42
GSTM2 P28161 1/20 0.42
BRAF P15056 1/20 0.40
PCSK9 Q8NBP7 1/20 0.39
TP53 P04637 1/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
IKBKG Q9Y6K9 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.37
TET3 O43151 1/20 0.37
TET2 Q6N021 1/20 0.37
TET1 Q8NFU7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 2/20 0.36
CDC7 O00311 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
CSNK2A1 P68400 2/20 0.36

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
SCHEMBL1330299 0.92 TP53 (0.43) SMN1; SMN2MAPTBRAFPCSK9TP53
SCHEMBL1328592 0.84 NPC1 (0.38) SMN1; SMN2MAPTALDH1A1KDM4ECSNK2A1
SCHEMBL1331094 0.83 PDE10A (0.39) SMN1; SMN2MAPTALDH1A1KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL1329929 0.83 PDE10A (0.38) SMN1; SMN2MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL1328950 0.79 NTRK1 (0.43) MAPTALDH1A1
SCHEMBL1329110 0.79 NPC1 (0.43) SMN1; SMN2MAPTAURKB
SCHEMBL1329686 0.79 NPC1 (0.41) SMN1; SMN2MAPTTP53KDM4EAURKB
Hydrochloric Acid SCHEMBL1327849 0.78 NPC1 (0.45) SMN1; SMN2MAPTAURKB
Hydrochloric Acid SCHEMBL1328522 0.78 NPC1 (0.42) SMN1; SMN2MAPTTP53KDM4EAURKB
SCHEMBL1329283 0.78 MAPT (0.39) SMN1; SMN2MAPTGSTP1GSTM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2013-03-14 US claimed
US-8354540-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC. (US) 2013-01-15 US claimed
US-20110281874-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2011-11-17 US claimed
EP-2013204-B1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2015-02-18 EP disclosed
EP-2543667-B1 A method of preparing 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC (US) 2015-01-28 EP disclosed
US-8883828-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC. (US) 2014-11-11 US disclosed
EP-2543667-A9 2-aminopyridine analogs as glucokinase activators Array Biopharma, Inc. (US) 2013-08-21 EP disclosed
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2013-03-14 US disclosed
US-8354540-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC. (US) 2013-01-15 US disclosed
US-20110281874-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2011-11-17 US disclosed
US-8022223-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed
US-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-06-18 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 (3 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-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, PRKCSH SMN1; SMN2 3368/4885MAPT 3414/4885GSTP1 779/4885
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 SMN1; SMN2 2184/4885MAPT 3549/4885GSTP1 1049/4885
US-20110281874-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 SMN1; SMN2 2184/4885MAPT 3549/4885GSTP1 1049/4885

“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.