SCHEMBL1733033

SCHEMBL1733033

O=C(Nc1cnoc1)c1cn2cc(I)ccc2n1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP2C9 P11712 1/20 0.43
NR4A2 P43354 1/20 0.43
EGLN1 Q9GZT9 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
PKM P14618 2/20 0.40
ROCK1 Q13464 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3367614 0.81 RAB9A (0.72) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL1734240 0.81 CYP2C9 (0.47) NPC1RAB9ACYP2C9NR4A2EGLN1
SCHEMBL1734366 0.79 ADORA2A (0.49) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL1734252 0.79 CYP2C9 (0.45) NPC1RAB9ACYP2C9NR4A2EGLN1
SCHEMBL1734246 0.78 NR4A2 (0.49) NPC1RAB9ACYP2C9NR4A2EGLN1
SCHEMBL1733792 0.78 NR4A2 (0.49) NPC1RAB9ACYP2C9NR4A2EGLN1
SCHEMBL1733958 0.78 NR4A2 (0.75) NPC1RAB9ACYP2C9NR4A2EGLN1
SCHEMBL3370051 0.78 NPC1 (0.50) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL1733122 0.77 NR4A2 (0.53) NPC1RAB9ACYP2C9NR4A2EGLN1
SCHEMBL1733791 0.77 CYP2C9 (0.43) NPC1RAB9AMAPTCYP2C9NR4A2

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 8 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
US-20100317673-A1 N-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-12-16 US claimed
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 disclosed
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
US-20100317673-A1 N-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION 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 (2 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-20100317673-A1 N-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION IDH2, GLS, IDH1 NPC1 1267/4885RAB9A 1443/4885MAPT 3010/4885
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 1347/4885MAPT 3492/4885

“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.