SCHEMBL4951208

SCHEMBL4951208

Cc1cc(-c2ccc(C#N)cc2)cn2cc(-c3ccc(C#N)cc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 4/20 0.53
APP P05067 1/20 0.45
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
KDM4E B2RXH2 4/20 0.43
TP53 P04637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL4952765 0.86 APP (0.48) ALDH1A3APPNPC1RAB9AALDH1A1
SCHEMBL4947838 0.83 ALDH1A3 (0.48) ALDH1A3APPNPC1RAB9AALDH1A1
SCHEMBL14046618 0.80 NPC1 (0.56) ALDH1A3APPNPC1RAB9AALDH1A1
SCHEMBL31367520 0.80 ALDH1A3 (0.64) ALDH1A3ALDH1A1KDM4ESMN1; SMN2ADORA2A
SCHEMBL31367548 0.80 ALDH1A3 (0.64) ALDH1A3ALDH1A1KDM4ESMN1; SMN2ADORA2A
SCHEMBL31367543 0.80 ALDH1A3 (0.64) ALDH1A3ALDH1A1KDM4ESMN1; SMN2ADORA2A
SCHEMBL4947258 0.77 MAPKAPK2 (0.38) ALDH1A3APPNPC1RAB9AALDH1A1
SCHEMBL14028705 0.76 ALDH1A1 (0.41) ALDH1A3APPNPC1RAB9AALDH1A1
SCHEMBL14028704 0.75 NPC1 (0.43) ALDH1A3NPC1RAB9AALDH1A1GAA
SCHEMBL31367588 0.75 ALDH1A3 (0.57) ALDH1A3NPC1RAB9AALDH1A1NFKB1

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 4309/4885NPC1 3238/4885

“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.