SCHEMBL5957520

SCHEMBL5957520

O=C(NCc1ccccc1)c1cn2c(=O)n(Cc3ccncc3)c(=O)cc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.67
MMP13 P45452 2/20 0.59
EGLN1 Q9GZT9 3/20 0.47
ALDH1A1 P00352 2/20 0.47
BRD4 O60885 1/20 0.44
SCD O00767 1/20 0.43
LMNA P02545 1/20 0.41
ROCK2 O75116 1/20 0.41
RPS6KA5 O75582 1/20 0.41
MAP4K4 O95819 1/20 0.41
PRKCG P05129 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
MAPK1 P28482 1/20 0.41
AKT1 P31749 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
PRKX P51817 1/20 0.41
PRKCD Q05655 1/20 0.41
PRKG2 Q13237 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
Hydrochloric Acid SCHEMBL5957599 0.99 TRPA1 (0.66) TRPA1MMP13EGLN1ALDH1A1BRD4
Hydrochloric Acid SCHEMBL5957820 0.99 TRPA1 (0.66) TRPA1MMP13EGLN1ALDH1A1BRD4
SCHEMBL5957700 0.94 MMP13 (0.66) TRPA1MMP13
SCHEMBL5957426 0.89 TRPA1 (0.67) TRPA1MMP13ALDH1A1LMNAMAP4K4
SCHEMBL5957667 0.88 TRPA1 (0.67) TRPA1MMP13ALDH1A1MAPK1
SCHEMBL5957566 0.86 MMP13 (0.57) TRPA1MMP13ALDH1A1
SCHEMBL7106604 0.84 MMP13 (0.60) TRPA1MMP13MAPK1GSK3B
SCHEMBL5957475 0.82 MMP13 (0.88) TRPA1MMP13ALDH1A1LMNAGSK3B
Hydrochloric Acid SCHEMBL5957471 0.81 MMP13 (0.86) TRPA1MMP13ALDH1A1LMNAGSK3B
SCHEMBL5957784 0.80 TRPA1 (1.00) TRPA1ALDH1A1BRD4SCDLMNA

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-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY 2006-02-23 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-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP25, MMP15 TRPA1 3405/4885MMP13 1/4885EGLN1 783/4885

“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.