SCHEMBL4499576

SCHEMBL4499576

O=C(O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
ADORA1 P30542 7/20 0.55
ADORA3 P0DMS8 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 1/20 0.55
PDE10A Q9Y233 1/20 0.55
ADORA2A P29274 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NTSR1 P30989 1/20 0.52
CTRC Q99895 1/20 0.51
DHODH Q02127 1/20 0.51
ADORA2B P29275 1/20 0.50
MAPT P10636 2/20 0.49
MCL1 Q07820 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL28342127 0.98 MEN1 (0.62) MEN1KMT2AADORA1ADORA3SMN1; SMN2
SCHEMBL28344661 0.87 VCP (0.52) MEN1KMT2AADORA1ADORA3SMN1; SMN2
SCHEMBL30938002 0.83 ADORA1 (0.61) MEN1KMT2AADORA1ADORA3SMN1; SMN2
SCHEMBL6501260 0.83 MEN1 (0.66) MEN1KMT2AADORA1ADORA3SMN1; SMN2
SCHEMBL29416730 0.82 MEN1 (0.59) MEN1KMT2AADORA1ADORA3SMN1; SMN2
SCHEMBL28815668 0.82 MEN1 (0.59) MEN1KMT2AADORA1ADORA3SMN1; SMN2
SCHEMBL28342149 0.81 ADORA1 (0.47) MEN1KMT2AADORA1ADORA3SMN1; SMN2
SCHEMBL13171353 0.79 MEN1 (1.00) MEN1KMT2AADORA1ADORA3SMN1; SMN2
SCHEMBL6643800 0.79 MEN1 (0.60) MEN1KMT2AADORA1ADORA3SMN1; SMN2
SCHEMBL4259978 0.78 CTRC (0.77) MEN1KMT2AADORA1ADORA3SMN1; SMN2

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
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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 (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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 MEN1 4495/4885KMT2A 1216/4885ADORA1 50/4885

“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.