SCHEMBL1329110

SCHEMBL1329110

Brc1cnc(Nc2nc3cccnc3s2)c(Sc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.41
GCK P35557 9/20 0.37
PDK1 Q15118 1/20 0.36
LCK P06239 1/20 0.36
ITK Q08881 1/20 0.36
AURKB Q96GD4 1/20 0.36
PDE10A Q9Y233 2/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 1/20 0.32
BUB1 O43683 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
Hydrochloric Acid SCHEMBL1327849 0.99 NPC1 (0.45) NPC1RAB9ASMN1; SMN2POLBGCK
SCHEMBL1329686 0.91 NPC1 (0.41) NPC1RAB9ASMN1; SMN2POLBGCK
Hydrochloric Acid SCHEMBL1328522 0.90 NPC1 (0.42) NPC1RAB9ASMN1; SMN2POLBGCK
SCHEMBL1328592 0.89 NPC1 (0.38) NPC1RAB9ASMN1; SMN2POLBLCK
SCHEMBL1329283 0.88 MAPT (0.39) NPC1RAB9ASMN1; SMN2POLBITK
SCHEMBL1331094 0.85 PDE10A (0.39) NPC1RAB9ASMN1; SMN2POLBPDE10A
Hydrochloric Acid SCHEMBL1329929 0.84 PDE10A (0.38) NPC1RAB9ASMN1; SMN2POLBPDE10A
SCHEMBL1328764 0.83 MAPT (0.38) NPC1RAB9ASMN1; SMN2POLBITK
Hydrochloric Acid SCHEMBL1330515 0.82 MAPT (0.37) NPC1RAB9ASMN1; SMN2POLBITK
SCHEMBL1328950 0.81 NTRK1 (0.43) POLBITKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013204-B1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2015-02-18 EP claimed
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
US-8883828-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC. (US) 2014-11-11 US disclosed
US-8883828-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC. (US) 2014-11-11 US disclosed
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2013-03-14 US 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-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-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-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
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 NPC1 4280/4885RAB9A 3632/4885SMN1; SMN2 3368/4885
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 NPC1 3879/4885RAB9A 2861/4885SMN1; SMN2 2184/4885
US-20110281874-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 NPC1 3879/4885RAB9A 2861/4885SMN1; SMN2 2184/4885

“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.