SCHEMBL6661861

SCHEMBL6661861

Cn1c2c(c(=O)n(Cc3ccccc3)c1=O)N=C(C(=O)O)CN2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.45
ADORA2B P29275 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 2/20 0.44
RAB9A P51151 1/20 0.44
LGMN Q99538 1/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MMP13 P45452 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
BRAF P15056 1/20 0.40
PIK3CG P48736 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL6662760 0.81 THRB (0.44) ADORA3ADORA2BSMN1; SMN2PKMALDH1A1
SCHEMBL6682687 0.80 MAPT (0.46) SMN1; SMN2RAB9AALDH1A1LMNAMEN1
SCHEMBL6678512 0.67 SMN1; SMN2 (0.45) ADORA3ADORA2BSMN1; SMN2PKMRAB9A
SCHEMBL3940708 0.66 HPGD (0.64) ADORA3ADORA2BSMN1; SMN2PKMRAB9A
SCHEMBL7058428 0.66 SMN1; SMN2 (0.44) ADORA3ADORA2BSMN1; SMN2PKMRAB9A
SCHEMBL16022016 0.66 PKM (0.48) ADORA3ADORA2BSMN1; SMN2PKMRAB9A
SCHEMBL6683575 0.64 GAA (0.46) ADORA3ADORA2BSMN1; SMN2PKMRAB9A
SCHEMBL7061898 0.64 GAA (0.47) ADORA3ADORA2BSMN1; SMN2PKMRAB9A
SCHEMBL6517346 0.64 ALDH1A1 (0.56) ADORA3ADORA2BPKMALDH1A1LMNA
SCHEMBL3001518 0.63 GSK3B (0.52) SMN1; SMN2PKMRAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040224951-A1 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-11-11 US disclosed
WO-2004014921-A1 5,6-FUSED URACIL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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-20040224951-A1 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP25 ADORA3 1377/4885ADORA2B 2670/4885SMN1; SMN2 682/4885

“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.