SCHEMBL4954009

SCHEMBL4954009

N#Cc1ccc(-c2ccc3nc(-c4ccc(C#N)cc4)cn3c2)cc1

nearest known ligand 0.88

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 12/20 0.88
APP P05067 2/20 0.65
ALDH1A1 P00352 6/20 0.65
ALDH1A2 O94788 1/20 0.65
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
KDM4E B2RXH2 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
SLC2A1 P11166 1/20 0.58
PAX8 Q06710 2/20 0.53
MEN1 O00255 1/20 0.53
MITF O75030 1/20 0.53
KDM5A P29375 1/20 0.53
KDM5C P41229 1/20 0.53
KMT2A Q03164 1/20 0.53
USP30 Q70CQ3 1/20 0.47

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
SCHEMBL4952001 0.93 ALDH1A3 (0.78) ALDH1A3APPALDH1A1ALDH1A2NPC1
SCHEMBL6320343 0.89 ALDH1A3 (0.72) ALDH1A3APPALDH1A1ALDH1A2NPC1
SCHEMBL6320351 0.88 ALDH1A3 (0.70) ALDH1A3APPALDH1A1ALDH1A2NPC1
SCHEMBL9488558 0.87 NPC1 (0.73) ALDH1A3APPALDH1A1NPC1RAB9A
SCHEMBL2431086 0.86 ALDH1A3 (0.68) ALDH1A3APPALDH1A1ALDH1A2NPC1
SCHEMBL5301325 0.86 ALDH1A3 (0.86) ALDH1A3APPALDH1A1ALDH1A2NPC1
SCHEMBL2429882 0.86 ALDH1A3 (0.68) ALDH1A3APPALDH1A1ALDH1A2NPC1
SCHEMBL2427884 0.86 ALDH1A3 (0.68) ALDH1A3APPALDH1A1ALDH1A2NPC1
Bromide SCHEMBL1691812 0.86 NPC1 (0.71) ALDH1A3APPALDH1A1NPC1RAB9A
SCHEMBL2128252 0.84 APP (0.74) ALDH1A3APPALDH1A1ALDH1A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432278-B2 Dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-10-07 US disclosed
US-7432278-B2 Dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-10-07 US disclosed
EP-1745045-A2 NOVEL DICATIONIC IMIDAZO 1,2-a PYRIDINES AND 5,6,7,8-TE TRAHYDRO-IMIDAZO 1,2a PYRIDINES AS ANTIPROTOZOAL AGENTS The University of North Carolina at Chapel Hill (US) 2007-01-24 EP disclosed
US-20050282853-A1 Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents BOYKIN DAVID W 2005-12-22 US disclosed
WO-2005086808-A2 NOVEL DICATIONIC IMIDAZO[1,2-a]PYRIDINES AND 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2a]PYRIDINES AS ANTIPROTOZOAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-09-22 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 (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-20050282853-A1 Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents PBRM1, QDPR, DHPS ALDH1A3 1894/4885APP 4309/4885ALDH1A1 1820/4885

“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.