SCHEMBL5739101

SCHEMBL5739101

N#Cc1ccc(-c2cn3cccc(Cl)c3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.52
NPC1 O15118 8/20 0.52
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 4/20 0.52
PKM P14618 1/20 0.52
ALDH1A3 P47895 5/20 0.50
ALDH1A2 O94788 2/20 0.50
NFKB1 P19838 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
GAA P10253 2/20 0.48
PDE10A Q9Y233 1/20 0.48
TP53 P04637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
DHODH Q02127 1/20 0.45
ADORA2A P29274 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
SCHEMBL5737169 0.85 ALDH1A3 (0.50) RAB9ANPC1ALDH1A1KDM4EPKM
SCHEMBL24307129 0.82 ALDH1A3 (0.68) RAB9ANPC1ALDH1A1KDM4EPKM
SCHEMBL5738406 0.81 ALDH1A1 (0.72) RAB9ANPC1ALDH1A1KDM4EPKM
SCHEMBL5739105 0.81 RAB9A (0.68) RAB9ANPC1ALDH1A1KDM4EPKM
SCHEMBL8867127 0.80 DHODH (0.73) RAB9ANPC1ALDH1A1KDM4EPKM
SCHEMBL6648749 0.79 ALDH1A3 (0.46) RAB9ANPC1ALDH1A1KDM4EPKM
Bromide SCHEMBL8866473 0.79 DHODH (0.71) RAB9ANPC1ALDH1A1KDM4EPKM
SCHEMBL5737395 0.77 PPARG (0.61) RAB9ANPC1ALDH1A1KDM4EPKM
SCHEMBL4506816 0.77 RAB9A (0.56) RAB9ANPC1ALDH1A1KDM4EPKM
SCHEMBL5738164 0.75 ALDH1A3 (0.51) RAB9ANPC1ALDH1A1KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401836-B1 IMIDAZO¬1,2-A|PYRIDINE DERIVATIVES FOR THE PROPHYLAXIS AND TREATMENT OF HERPES VIRAL INFECTIONS SMITHKLINE BEECHAM CORP (US) 2006-08-23 EP disclosed
US-20060167252-A1 Imidazo[1,2-a]pyridine derivatives for treatment of herpes viral infections GUDMUNDSSON KRISTJAN 2006-07-27 US disclosed
US-20050228004-A1 Imidazo'1,2-a!pyridine derivatives for the prophylaxis and treatment of herpes viral infections SMITHKLINE BEECHAM CORPORATION 2005-10-13 US 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 (2 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-20050228004-A1 Imidazo'1,2-a!pyridine derivatives for the prophylaxis and treatment of herpes viral infections TPMT, IRF3, ZC3HAV1 RAB9A 1784/4885NPC1 1119/4885ALDH1A1 374/4885
US-20060167252-A1 Imidazo[1,2-a]pyridine derivatives for treatment of herpes viral infections IRF3, IFNAR1, IL2 RAB9A 1333/4885NPC1 1030/4885ALDH1A1 392/4885

“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.