SCHEMBL4952276

SCHEMBL4952276

Cc1cc(C#N)cn2cc(-c3cccc(Br)c3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
ALDH1A3 P47895 2/20 0.40
HCRTR1 O43613 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL14046618 0.85 NPC1 (0.56) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL4947838 0.85 ALDH1A3 (0.48) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL4954159 0.78 ALDH1A3 (0.58) CTSSCTSKNPC1RAB9AKDM4E
SCHEMBL4952765 0.78 APP (0.48) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL4947432 0.75 ALDH1A1 (0.34) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL4951208 0.72 ALDH1A3 (0.53) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL25204952 0.72 GRM5 (0.48) KDM4EALDH1A1HPGDHSD17B10RXFP1
SCHEMBL4947258 0.72 MAPKAPK2 (0.38) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL17029016 0.71 KDM4E (0.45) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL20344794 0.71 KDM4E (0.42) 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 4 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
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 CTSS 3732/4885CTSK 3979/4885NPC1 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.