SCHEMBL1733966

SCHEMBL1733966

O=C(Nc1nccs1)c1cn2cc(-c3ccoc3)ccc2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
KDM4E B2RXH2 2/20 0.63
PKM P14618 1/20 0.63
NR4A2 P43354 2/20 0.45
CYP2C9 P11712 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MGAM O43451 2/20 0.42
GAA P10253 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
EGLN1 Q9GZT9 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL1733963 0.83 NPC1 (0.60) NPC1RAB9AKDM4EPKMNR4A2
SCHEMBL1733796 0.83 EGLN1 (0.42) NPC1RAB9AKDM4EPKMNR4A2
SCHEMBL1734219 0.82 NPC1 (0.62) NPC1RAB9AKDM4EPKMNR4A2
SCHEMBL1734221 0.81 NPC1 (0.60) NPC1RAB9AKDM4EPKMNR4A2
SCHEMBL1733935 0.81 NR4A2 (0.47) NR4A2CYP2C9EGLN1
SCHEMBL1734241 0.81 CYP2C9 (0.47) NPC1RAB9ANR4A2CYP2C9EGLN1
SCHEMBL1733358 0.80 NR4A2 (0.58) NPC1RAB9AKDM4ENR4A2CYP2C9
SCHEMBL3666138 0.80 NPC1 (0.70) NPC1RAB9AKDM4EPKMCYP2C9
SCHEMBL3767337 0.79 CYP2C9 (0.64) NPC1RAB9AKDM4ENR4A2CYP2C9
SCHEMBL3773519 0.79 RAB9A (0.69) NPC1RAB9AKDM4EPKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225243-B1 Derivatives of N-heterocyclic-6-heterocyclic-imidazo[1,2-a]pyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI SA (FR) 2011-11-16 EP claimed
US-20100317686-A1 N-HETEROCYCLIC-6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-12-16 US claimed
EP-2225243-A2 DERIVATIVES OF N-HETEROCYCLIC-6-HETEROCYCLIC-IMIDAZOÝL,2- A¨PYRIDINE-2-CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-09-08 EP claimed
WO-2009106751-A2 DERIVATIVES OF N-HETEROCYCLIC-6-HETEROCYCLIC-IMIDAZO[L,2- A]PYRIDINE-2-CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-03 WO claimed
US-20100317686-A1 N-HETEROCYCLIC-6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-12-16 US disclosed
EP-2225243-A2 DERIVATIVES OF N-HETEROCYCLIC-6-HETEROCYCLIC-IMIDAZOÝL,2- A¨PYRIDINE-2-CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-09-08 EP disclosed
WO-2009106751-A2 DERIVATIVES OF N-HETEROCYCLIC-6-HETEROCYCLIC-IMIDAZO[L,2- A]PYRIDINE-2-CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-03 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-20100317686-A1 N-HETEROCYCLIC-6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF IDH1, IDH2, XDH NPC1 1252/4885RAB9A 1347/4885KDM4E 2759/4885

“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.