SCHEMBL2656032

SCHEMBL2656032

O=[N+]([O-])c1ncccc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
S1PR4 O95977 1/20 0.45
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PDE5A O76074 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
SCD O00767 1/20 0.43
MAPT P10636 4/20 0.42
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL29107134 0.94 KMT2A (0.49) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL30978673 0.85 SCD (0.46) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL15616482 0.84 KMT2A (0.46) KMT2AMEN1NPC1RAB9AS1PR4
Hydrochloric Acid SCHEMBL30978679 0.82 KMT2A (0.45) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL2661779 0.82 NPC1 (0.43) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL30541530 0.81 SCD (0.43) KMT2AMEN1S1PR4ALDH1A1L3MBTL1
SCHEMBL17971800 0.78 KMT2A (0.41) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL17971801 0.77 KMT2A (0.41) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL15616690 0.76 KMT2A (0.53) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL2659515 0.75 CYP19A1 (0.40) KMT2AMEN1S1PR4ALDH1A1L3MBTL1

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 5 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
EP-2173745-A2 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS Array Biopharma, Inc. (US) 2010-04-14 EP disclosed
CN-101679405-A 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC 2010-03-24 CN disclosed
WO-2008118718-A2 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2008-10-02 WO 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 KMT2A 1406/4885MEN1 4229/4885NPC1 3879/4885

“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.