SCHEMBL30828595

SCHEMBL30828595

O=C(NCc1ccncc1)c1ccc(-c2ccc(C(=O)NCc3ccncc3)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.88
ROCK2 O75116 3/20 0.82
ROCK1 Q13464 3/20 0.82
PRKACA P17612 2/20 0.82
GSK3A P49840 2/20 0.82
GSK3B P49841 2/20 0.82
PRKX P51817 2/20 0.82
CLK4 Q9HAZ1 2/20 0.82
RPS6KA5 O75582 1/20 0.82
MAP4K4 O95819 1/20 0.82
PRKCG P05129 1/20 0.82
RPS6KB1 P23443 1/20 0.82
MAPK1 P28482 1/20 0.82
AKT1 P31749 1/20 0.82
PRKCD Q05655 1/20 0.82
PRKG2 Q13237 1/20 0.82
DYRK1A Q13627 1/20 0.82
PRKG1 Q13976 1/20 0.82
PKN2 Q16513 1/20 0.82
CDC42BPA Q5VT25 1/20 0.82

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
SCHEMBL539269 0.94 MMP13 (1.00) MMP13ROCK2ROCK1PRKACAGSK3A
SCHEMBL1569157 0.91 L3MBTL1 (0.77) MMP13ROCK2ROCK1PRKACAGSK3A
SCHEMBL3812691 0.90 ROCK2 (1.00) MMP13ROCK2ROCK1PRKACAGSK3A
SCHEMBL14082493 0.88 MMP13 (0.79) MMP13ROCK2ROCK1PRKACAGSK3A
SCHEMBL4503327 0.88 MMP13 (0.69) MMP13ROCK2ROCK1PRKACAGSK3A
SCHEMBL16712996 0.88 ROCK2 (0.74) MMP13ROCK2ROCK1PRKACAGSK3A
SCHEMBL171661 0.86 SMN1; SMN2 (0.83) MMP13ROCK2ROCK1PRKACAGSK3A
SCHEMBL95976 0.86 MMP13 (0.68) MMP13ROCK2ROCK1PRKACAGSK3A
SCHEMBL9422508 0.86 MMP13 (0.68) MMP13ROCK2ROCK1PRKACAGSK3A
SCHEMBL28309717 0.86 CA2 (0.68) MMP13ROCK2ROCK1PRKACAGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS SAINT LOUIS UNIVERSITY (US) 2024-04-11 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-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS ABCC1, ARG1, SLC11A2 MMP13 4797/4885ROCK2 4579/4885ROCK1 4322/4885

“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.