SCHEMBL972809

SCHEMBL972809

Cc1ccn2cc(-c3ccc(Br)cc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 1.00
RAB9A P51151 8/20 1.00
KDM4E B2RXH2 6/20 1.00
SMN1; SMN2 Q16637 3/20 0.79
TP53 P04637 2/20 0.79
PKM P14618 2/20 0.69
APP P05067 3/20 0.65
PAX8 Q06710 1/20 0.65
GAA P10253 3/20 0.63
POLB P06746 2/20 0.63
GFER P55789 1/20 0.63
KMT2A Q03164 1/20 0.63
MAPT P10636 2/20 0.56
HPGD P15428 3/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 4/20 0.54
HRH3 Q9Y5N1 3/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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 SCHEMBL1691396 0.98 NPC1 (0.97) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL13325910 0.92 SMN1; SMN2 (0.93) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL1691995 0.89 SMN1; SMN2 (1.00) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL13325899 0.84 SMN1; SMN2 (0.79) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL16212272 0.84 SMN1; SMN2 (0.74) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL10648324 0.84 SMN1; SMN2 (0.79) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL4727102 0.84 SMN1; SMN2 (0.79) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL4727165 0.84 SMN1; SMN2 (0.79) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL6393875 0.84 SMN1; SMN2 (0.79) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL15207138 0.83 SMN1; SMN2 (0.77) NPC1RAB9AKDM4ESMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109438444-B Imidazo [1, 2-alpha ] pyridine derivative, preparation method and application thereof in allochroic powder 上海甘田光学材料有限公司 2021-03-19 CN disclosed
US-20110021532-A1 NOVEL SUBSTITUTED HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2011-01-27 US disclosed
US-7867629-B2 Nitrogenous heterocyclic derivative and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-01-11 US disclosed
EP-1268478-B1 PHENYL-SUBSTITUTED IMIDAZOPYRIDINES ORTHO MCNEIL PHARM INC (US) 2007-05-02 EP disclosed
US-7199117-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-04-03 US disclosed
US-7087757-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-08-08 US disclosed
US-7041827-B2 Phenyl-substituted imidazopyridines BREITENBUCHER J GUY 2006-05-09 US disclosed
US-7041828-B2 Phenyl-substituted imidazopyridines BREITENBUCHER J GUY 2006-05-09 US disclosed
US-6908929-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-06-21 US disclosed
US-20050090523-A1 2-(substituted phenyl)imidazo[1,2-a]pyridine compounds; use to treat disorders mediated by the histamine H3 receptor such as sleep disorders, attention deficit hyperactivity disorder, or Alzheimer's disease; 2-[4-[3-(Piperidino)propylamino]phenyl]-8-methylimidazo[1,2-a]pyridine for example BREITENBUCHER J G (US) 2005-04-28 US disclosed
US-20050085502-A1 Phenyl-substituted imidazopyridines BREITENBUCHER J G (US) 2005-04-21 US disclosed
US-20050085501-A1 Phenyl-substituted imidazopyridines BREITENBUCHER J G (US) 2005-04-21 US disclosed
US-20050049277-A1 Phenyl-substituted imidazopyridines BREITENBUCHER J GUY (US) 2005-03-03 US disclosed
US-20050043348-A1 Phenyl-substituted imidazopyridines BREITENBUCHER J GUY (US) 2005-02-24 US disclosed
EP-1268478-A2 PHENYL-SUBSTITUTED IMIDAZOPYRIDINES Ortho McNeil Pharmaceutical, Inc. (US) 2003-01-02 EP disclosed
US-20020006934-A1 Phenyl-substituted imidazopyridines ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US disclosed
WO-2001074815-A2 PHENYL-SUBSTITUTED IMIDAZOPYRIDINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 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 (7 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-20050043348-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 NPC1 323/4885RAB9A 3610/4885KDM4E 1467/4885
US-20050085502-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 NPC1 323/4885RAB9A 3610/4885KDM4E 1467/4885
US-20110021532-A1 NOVEL SUBSTITUTED HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN NPC1 457/4885RAB9A 1918/4885KDM4E 2158/4885
US-20050085501-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 NPC1 323/4885RAB9A 3610/4885KDM4E 1467/4885
US-20050049277-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 NPC1 323/4885RAB9A 3610/4885KDM4E 1467/4885
US-20050090523-A1 2-(substituted phenyl)imidazo[1,2-a]pyridine compounds; use to treat disorders mediated by the histamine H3 receptor such as sleep disorders, attention deficit hyperactivity disorder, or Alzheimer's disease; 2-[4-[3-(Piperidino)propylamino]phenyl]-8-methylimidazo[1,2-a]pyridine for example HRH3, HRH4, HTR2C NPC1 501/4885RAB9A 1937/4885KDM4E 225/4885
US-20020006934-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 NPC1 323/4885RAB9A 3610/4885KDM4E 1467/4885

“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.