SCHEMBL5409082

SCHEMBL5409082

Cc1cccn2cc(-c3ccc(N)cc3)nc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.77
ALDH1A1 P00352 7/20 0.77
NPC1 O15118 6/20 0.77
NFKB1 P19838 3/20 0.77
NFKB2 Q00653 3/20 0.77
RELA Q04206 3/20 0.77
GAA P10253 2/20 0.77
KDM4E B2RXH2 6/20 0.74
HSD17B10 Q99714 3/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
TP53 P04637 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
HPGD P15428 2/20 0.74
TSHR P16473 1/20 0.74
PKM P14618 1/20 0.73
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
RECQL P46063 1/20 0.56
HRH3 Q9Y5N1 8/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL2617338 0.87 ALDH1A1 (1.00) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL2103248 0.86 ALDH1A1 (0.79) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL13325903 0.86 ALDH1A1 (0.94) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL4837433 0.85 ALDH1A1 (1.00) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL4728827 0.84 ALDH1A1 (1.00) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL5420774 0.84 NPC1 (0.77) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL28851904 0.84 RAB9A (1.00) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL972723 0.84 NPC1 (0.77) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL15101540 0.84 RAB9A (0.68) RAB9AALDH1A1NPC1NFKB1NFKB2
Bromide SCHEMBL1691886 0.83 NPC1 (0.75) RAB9AALDH1A1NPC1NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
WO-2024219864-A1 NOVEL COMPOUND EXHIBITING SETDB1 INHIBITORY ACTIVITY, AND USE THEREOF 주식회사 넷타겟 2024-10-24 WO disclosed
US-8486936-B2 Antagonist of smoothened AllaChem, LLC (US) 2013-07-16 US disclosed
US-8486936-B2 Antagonist of smoothened AllaChem, LLC (US) 2013-07-16 US disclosed
US-20110098291-A1 ANTAGONIST OF SMOOTHENED Alla Chem Inc. (US) 2011-04-28 US disclosed
US-20110098291-A1 ANTAGONIST OF SMOOTHENED Alla Chem Inc. (US) 2011-04-28 US disclosed
WO-2010129620-A1 IMIDAZO [ 1, 2 -A] PYRIDIN-2 -YL-PHENYL DERIVATIVES TO BE USED IN CANCER TREATMENT ALLA CHEM, LLC (US) 2010-11-11 WO 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 RAB9A 3610/4885ALDH1A1 767/4885NPC1 323/4885
US-20050085502-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 RAB9A 3610/4885ALDH1A1 767/4885NPC1 323/4885
US-20110098291-A1 ANTAGONIST OF SMOOTHENED SMO, SHH, GLI1 RAB9A 1560/4885ALDH1A1 2639/4885NPC1 1407/4885
US-20050085501-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 RAB9A 3610/4885ALDH1A1 767/4885NPC1 323/4885
US-20050049277-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 RAB9A 3610/4885ALDH1A1 767/4885NPC1 323/4885
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 RAB9A 1937/4885ALDH1A1 580/4885NPC1 501/4885
US-20020006934-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 RAB9A 3610/4885ALDH1A1 767/4885NPC1 323/4885

“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.