SCHEMBL6544442

SCHEMBL6544442

COc1ccc(-c2cn3ccc(C)cc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 1.00
RAB9A P51151 5/20 1.00
KDM4E B2RXH2 4/20 1.00
PKM P14618 2/20 1.00
TP53 P04637 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
TLR9 Q9NR96 4/20 0.72
TLR7 Q9NYK1 4/20 0.72
KMT2A Q03164 2/20 0.68
ALDH1A1 P00352 1/20 0.68
HPGD P15428 1/20 0.68
EPHX2 P34913 1/20 0.65
ALDH1A3 P47895 4/20 0.64
HRH3 Q9Y5N1 4/20 0.61
POLB P06746 1/20 0.60
GAA P10253 1/20 0.60
GFER P55789 1/20 0.60

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
Hydrochloric Acid SCHEMBL6545323 0.99 NPC1 (0.97) NPC1RAB9AKDM4EPKMTP53
SCHEMBL13325910 0.89 SMN1; SMN2 (0.93) NPC1RAB9AKDM4EPKMTP53
SCHEMBL13325779 0.87 KDM4E (0.78) NPC1RAB9AKDM4EPKMTP53
SCHEMBL1691995 0.86 SMN1; SMN2 (1.00) NPC1RAB9AKDM4EPKMTP53
SCHEMBL28539546 0.85 KDM4E (0.74) NPC1RAB9AKDM4EPKMTP53
SCHEMBL13325818 0.85 KDM4E (0.74) NPC1RAB9AKDM4EPKMTP53
SCHEMBL16212302 0.84 RAB9A (0.72) NPC1RAB9AKDM4EPKMTP53
SCHEMBL13325729 0.84 NPC1 (0.72) NPC1RAB9AKDM4EPKMTP53
SCHEMBL16599930 0.84 TLR9 (1.00) NPC1RAB9AKDM4EPKMTP53
Bromide SCHEMBL16600531 0.83 TLR9 (0.97) NPC1RAB9AKDM4EPKMTP53

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
CN-109988561-B Imidazo [1,2-a ] pyridine ratio type pH fluorescent probe and preparation method and application thereof 上海健康医学院 2022-05-10 CN claimed
CN-110407835-B Imidazo [1,2-a ] pyridine near-infrared ratio type pH fluorescent probe and preparation and application thereof 上海健康医学院 2021-04-13 CN claimed
US-20040142961-A1 Utilization of substituted imidazo[1,2-a]-pyridine compounds in pharmaceutical formulations GRUENENTHAL GMBH (DE) 2004-07-22 US claimed
EP-1372647-A2 USE OF SUBSTITUTED IMIDAZO 1,2-A]-PYRIDINE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-01-02 EP claimed
WO-2002080914-A2 USE OF SUBSTITUTED IMIDAZO[1,2-A]-PYRIDINE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2002-10-17 WO claimed
CN-118290418-A Method and application of nitrogen-containing heterocyclic compound alkenyl reaction 广东药科大学 2024-07-05 CN disclosed
CN-109988561-B Imidazo [1,2-a ] pyridine ratio type pH fluorescent probe and preparation method and application thereof 上海健康医学院 2022-05-10 CN disclosed
CN-108727373-B Catalytic synthesis method of C-3-aryl seleno-imidazopyridine compound 青岛科技大学 2021-08-20 CN disclosed
CN-110407835-B Imidazo [1,2-a ] pyridine near-infrared ratio type pH fluorescent probe and preparation and application thereof 上海健康医学院 2021-04-13 CN disclosed
CN-110407835-B Imidazo [1,2-a ] pyridine near-infrared ratio type pH fluorescent probe and preparation and application thereof 上海健康医学院 2021-04-13 CN disclosed
US-8980887-B2 2-aryl imidazo[1,2-a]pyridine-3-acetamide derivatives, preparation methods and uses thereof INSTITUTE OF PHARMACOLOGY (CN) 2015-03-17 US disclosed
US-20130203754-A1 2-Aryl Imidazo[1,2-a]Pyridine-3-Acetamide Derivatives, Preparation Methods and Uses Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2013-08-08 US disclosed
CN-103012400-A Novel synthesis method of pyridino-imidazole compound UNIV SOOCHOW 2013-04-03 CN disclosed
US-20040142961-A1 Utilization of substituted imidazo[1,2-a]-pyridine compounds in pharmaceutical formulations GRUENENTHAL GMBH (DE) 2004-07-22 US disclosed
EP-1372647-A2 USE OF SUBSTITUTED IMIDAZO 1,2-A]-PYRIDINE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-01-02 EP disclosed
WO-2002080914-A2 USE OF SUBSTITUTED IMIDAZO[1,2-A]-PYRIDINE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2002-10-17 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-20040142961-A1 Utilization of substituted imidazo[1,2-a]-pyridine compounds in pharmaceutical formulations QDPR, PTGIS, DPYD NPC1 1374/4885RAB9A 2823/4885KDM4E 2101/4885
US-20130203754-A1 2-Aryl Imidazo[1,2-a]Pyridine-3-Acetamide Derivatives, Preparation Methods and Uses Thereof TSPO, SLC6A1, TBXA2R NPC1 780/4885RAB9A 2262/4885KDM4E 3821/4885

“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.