SCHEMBL5737169

SCHEMBL5737169

N#Cc1cccc(-c2cn3cccc(Cl)c3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 4/20 0.50
PDE10A Q9Y233 1/20 0.45
ALDH1A2 O94788 2/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
IDO1 P14902 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL5739101 0.85 RAB9A (0.52) ALDH1A3PDE10AALDH1A2NPC1RAB9A
SCHEMBL24307129 0.78 ALDH1A3 (0.68) ALDH1A3PDE10AALDH1A2NPC1RAB9A
SCHEMBL5737921 0.76 ALDH1A3 (0.72) ALDH1A3PDE10AALDH1A2NPC1RAB9A
SCHEMBL5738164 0.75 ALDH1A3 (0.51) ALDH1A3PDE10AALDH1A2NPC1RAB9A
SCHEMBL5737718 0.74 CASP3 (0.64) ALDH1A3PDE10AALDH1A2NPC1RAB9A
SCHEMBL31367566 0.73 ALDH1A3 (0.58) ALDH1A3ALDH1A2IDO1GRM5XDH
SCHEMBL27082490 0.72 PDE10A (0.51) ALDH1A3PDE10AALDH1A2NPC1RAB9A
SCHEMBL3817089 0.72 TP53 (0.65) ALDH1A3NPC1RAB9AALDH1A1PKM
SCHEMBL5738406 0.72 ALDH1A1 (0.72) ALDH1A3PDE10AALDH1A2NPC1RAB9A
SCHEMBL5739105 0.72 RAB9A (0.68) ALDH1A3PDE10AALDH1A2NPC1RAB9A

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 ALDH1A3 1186/4885PDE10A 1998/4885ALDH1A2 1345/4885
US-20060167252-A1 Imidazo[1,2-a]pyridine derivatives for treatment of herpes viral infections IRF3, IFNAR1, IL2 ALDH1A3 1244/4885PDE10A 2049/4885ALDH1A2 1095/4885

“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.