SCHEMBL3773789

SCHEMBL3773789

O=C(Nc1ccccc1)c1cn2cc(C3OCCO3)ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
CYP2C9 P11712 1/20 0.55
NR4A2 P43354 1/20 0.55
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 1/20 0.50
DGAT1 O75907 3/20 0.46
EGLN1 Q9GZT9 2/20 0.44
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL3368461 0.80 NPC1 (0.70) NPC1RAB9ACYP2C9NR4A2MAPT
SCHEMBL3365483 0.78 NPC1 (0.67) NPC1RAB9ACYP2C9NR4A2MAPT
SCHEMBL3367654 0.77 RAB9A (0.70) NPC1RAB9ACYP2C9NR4A2MAPT
SCHEMBL3365512 0.76 NPC1 (0.68) NPC1RAB9ACYP2C9NR4A2MAPT
SCHEMBL2485519 0.76 RAB9A (0.68) NPC1RAB9ACYP2C9NR4A2MAPT
SCHEMBL3369722 0.76 RAB9A (0.68) NPC1RAB9ACYP2C9NR4A2MAPT
SCHEMBL3367614 0.76 RAB9A (0.72) NPC1RAB9ACYP2C9NR4A2MAPT
SCHEMBL3366348 0.76 CYP2C9 (0.73) NPC1RAB9ACYP2C9NR4A2DGAT1
SCHEMBL2485532 0.76 RAB9A (0.68) NPC1RAB9ACYP2C9NR4A2MAPT
SCHEMBL3772694 0.76 NPC1 (0.57) NPC1RAB9ACYP2C9NR4A2MAPT

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-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-8314109-B2 6-heterocyclic-imidazo[1,2-α]pyridine-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2012-11-20 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.