SCHEMBL3772694

SCHEMBL3772694

CC1(c2ccc3nc(C(=O)Nc4ccccc4)cn3c2)OCCO1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
CYP2C9 P11712 1/20 0.54
NR4A2 P43354 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
EGLN1 Q9GZT9 2/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
DGAT1 O75907 1/20 0.40

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
SCHEMBL3365483 0.82 NPC1 (0.67) NPC1RAB9ACYP2C9NR4A2SMN1; SMN2
SCHEMBL3368461 0.81 NPC1 (0.70) NPC1RAB9ACYP2C9NR4A2SMN1; SMN2
SCHEMBL3371083 0.78 NPC1 (0.65) NPC1RAB9ACYP2C9NR4A2SMN1; SMN2
SCHEMBL2485532 0.78 RAB9A (0.68) NPC1RAB9ACYP2C9NR4A2SMN1; SMN2
Hydrochloric Acid SCHEMBL3368257 0.77 NPC1 (0.64) NPC1RAB9ACYP2C9NR4A2SMN1; SMN2
SCHEMBL3367654 0.76 RAB9A (0.70) NPC1RAB9ACYP2C9NR4A2SMN1; SMN2
SCHEMBL3770025 0.76 NPC1 (0.56) NPC1RAB9ACYP2C9NR4A2SMN1; SMN2
SCHEMBL2487512 0.76 NPC1 (0.62) NPC1RAB9ACYP2C9NR4A2SMN1; SMN2
SCHEMBL3371374 0.76 NPC1 (0.62) NPC1RAB9ACYP2C9NR4A2SMN1; SMN2
SCHEMBL3773789 0.76 NPC1 (0.58) NPC1RAB9ACYP2C9NR4A2SMN1; 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 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.