SCHEMBL3772096

SCHEMBL3772096

O=C(CBr)c1ccc2nc(C(=O)Nc3ccccc3)cn2c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
CYP2C9 P11712 1/20 0.57
NR4A2 P43354 1/20 0.57
EGLN1 Q9GZT9 5/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 1/20 0.44
DGAT1 O75907 1/20 0.41
ROCK1 Q13464 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
SCHEMBL3371083 0.84 NPC1 (0.65) NPC1RAB9ACYP2C9NR4A2EGLN1
SCHEMBL3367363 0.84 NPC1 (0.65) NPC1RAB9ACYP2C9NR4A2EGLN1
SCHEMBL3367853 0.84 CYP2C9 (0.67) NPC1RAB9ACYP2C9NR4A2EGLN1
Hydrochloric Acid SCHEMBL3368257 0.82 NPC1 (0.64) NPC1RAB9ACYP2C9NR4A2EGLN1
SCHEMBL3371374 0.81 NPC1 (0.62) NPC1RAB9ACYP2C9NR4A2EGLN1
SCHEMBL3369722 0.81 RAB9A (0.68) NPC1RAB9ACYP2C9NR4A2EGLN1
SCHEMBL3367654 0.79 RAB9A (0.70) NPC1RAB9ACYP2C9NR4A2EGLN1
SCHEMBL3368461 0.79 NPC1 (0.70) NPC1RAB9ACYP2C9NR4A2EGLN1
SCHEMBL3371023 0.79 NPC1 (0.65) NPC1RAB9ACYP2C9NR4A2EGLN1
SCHEMBL3368408 0.78 RAB9A (0.55) NPC1RAB9ACYP2C9NR4A2EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691990-B2 6-heterocyclic imidazo[1,2-α]pyridine-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-04-08 US claimed
EP-2225240-B1 Derivatives of 6-heterocyclic-imidazo[1,2-a]pyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI SA (FR) 2014-01-22 EP claimed
US-20130041152-A1 6-HETEROCYCLIC IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF PEYRONEL JEAN-FRANCOIS (FR) 2013-02-14 US claimed
US-20100317675-A1 6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-12-16 US claimed
US-8691990-B2 6-heterocyclic imidazo[1,2-α]pyridine-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-04-08 US disclosed
EP-2225240-B1 Derivatives of 6-heterocyclic-imidazo[1,2-a]pyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI SA (FR) 2014-01-22 EP disclosed
US-20130041152-A1 6-HETEROCYCLIC IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF PEYRONEL JEAN-FRANCOIS (FR) 2013-02-14 US disclosed
US-8314109-B2 6-heterocyclic-imidazo[1,2-α]pyridine-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2012-11-20 US disclosed
US-20100317675-A1 6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-12-16 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 (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-20130041152-A1 6-HETEROCYCLIC IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF XDH, REN, IDH2 NPC1 2354/4885RAB9A 1259/4885CYP2C9 209/4885
US-20100317675-A1 6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF REN, IDH2, GLS NPC1 2499/4885RAB9A 1339/4885CYP2C9 231/4885

“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.