SCHEMBL2128798

SCHEMBL2128798

COC(=O)c1ccc2nc(-c3ccc(C#N)cc3)cn2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.67
NPC1 O15118 10/20 0.67
RAB9A P51151 10/20 0.67
KDM4E B2RXH2 10/20 0.67
GLA P06280 1/20 0.67
ALDH1A3 P47895 5/20 0.63
MAPT P10636 3/20 0.60
KMT2A Q03164 3/20 0.59
POLB P06746 2/20 0.55
GAA P10253 2/20 0.55
APP P05067 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 2/20 0.49
HSP90AA1 P07900 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
EGLN2 Q96KS0 1/20 0.47
ALDH1A2 O94788 1/20 0.46

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
Bromide SCHEMBL8866403 0.99 ALDH1A1 (0.66) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL2128335 0.86 RAB9A (0.71) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL2127752 0.86 ALDH1A1 (0.75) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL2127570 0.85 ALDH1A3 (0.65) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL2127079 0.84 NPC1 (0.74) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL2126735 0.84 NPC1 (0.72) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL2127209 0.84 NPC1 (0.76) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL2127115 0.84 ALDH1A1 (0.88) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL2128899 0.84 ALDH1A1 (0.72) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL2127861 0.84 ALDH1A1 (0.72) ALDH1A1NPC1RAB9AKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399476-B2 Imidazo[1,2-a]pyridines and their use as pharmaceuticals SANOFI (FR) 2013-03-19 US claimed
EP-2129375-B1 IMIDAZO[1,2-A]PYRIDINES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2012-04-25 EP claimed
US-20100113412-A1 IMIDAZO[1,2-a]PYRIDINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-05-06 US claimed
EP-2129375-A1 IMIDAZO[1,2-A]PYRIDINES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-12-09 EP claimed
WO-2008104278-A1 IMIDAZO[1,2-A] PYRIDINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-09-04 WO claimed
EP-1964840-A1 Imidazo[1,2-a]pyridines and their use as pharmaceuticals sanofi-aventis (FR) 2008-09-03 EP claimed
US-8399476-B2 Imidazo[1,2-a]pyridines and their use as pharmaceuticals SANOFI (FR) 2013-03-19 US disclosed
EP-2129375-B1 IMIDAZO[1,2-A]PYRIDINES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2012-04-25 EP disclosed
EP-2129375-B1 IMIDAZO[1,2-A]PYRIDINES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2012-04-25 EP disclosed
US-20100113412-A1 IMIDAZO[1,2-a]PYRIDINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
EP-2129375-A1 IMIDAZO[1,2-A]PYRIDINES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-12-09 EP disclosed
WO-2008104278-A1 IMIDAZO[1,2-A] PYRIDINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-09-04 WO disclosed
WO-2008104278-A1 IMIDAZO[1,2-A] PYRIDINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-09-04 WO disclosed
EP-1964840-A1 Imidazo[1,2-a]pyridines and their use as pharmaceuticals sanofi-aventis (FR) 2008-09-03 EP disclosed
EP-1964840-A1 Imidazo[1,2-a]pyridines and their use as pharmaceuticals sanofi-aventis (FR) 2008-09-03 EP disclosed
US-5614531-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 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 (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-20100113412-A1 IMIDAZO[1,2-a]PYRIDINES AND THEIR USE AS PHARMACEUTICALS NOS1, PTGIS, NOS2 ALDH1A1 1286/4885NPC1 2959/4885RAB9A 2234/4885

“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.