SCHEMBL2659795

SCHEMBL2659795

Cc1ncccc1Oc1cc(NC(=S)NC(=O)c2ccccc2)ncc1Br

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.51
RAB9A P51151 10/20 0.51
PKM P14618 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KCNH2 Q12809 1/20 0.48
MET P08581 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GCK P35557 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
PLK1 P53350 1/20 0.43

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
SCHEMBL2657429 0.82 GCK (0.43) NPC1RAB9AGCK
SCHEMBL190809 0.80 GCK (0.62) NPC1RAB9APKMNPSR1KCNH2
SCHEMBL191773 0.79 NPC1 (0.53) NPC1RAB9APKMNPSR1KCNH2
SCHEMBL190965 0.78 RAB9A (0.45) NPC1RAB9APKMKCNH2POLB
SCHEMBL7127511 0.78 NPC1 (0.69) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL190796 0.73 NPC1 (0.49) NPC1RAB9APKMNPSR1KCNH2
SCHEMBL2862565 0.71 NPC1 (0.68) NPC1RAB9APKMNPSR1POLB
SCHEMBL2783145 0.71 NPC1 (0.68) NPC1RAB9APKMNPSR1KCNH2
SCHEMBL31390012 0.71 NPC1 (0.56) NPC1RAB9APKMNPSR1KCNH2
SCHEMBL26854287 0.70 RAB9A (0.66) NPC1RAB9APKMNPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431713-B2 2-aminopyridine derivatives as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2013-04-30 US disclosed
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-04-22 US disclosed
WO-2008091770-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2008-07-31 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-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 NPC1 4402/4885RAB9A 2202/4885PKM 185/4885

“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.