SCHEMBL6702279

SCHEMBL6702279

Cn1c(=O)n(Cc2ccccc2)c(=O)c2nc(C#CCc3ccccc3)[nH]c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.50
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ADORA3 P0DMS8 1/20 0.45
ADORA2B P29275 1/20 0.45
MMP13 P45452 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HIF1A Q16665 1/20 0.42
DPP4 P27487 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
G6PD P11413 1/20 0.40

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
SCHEMBL6701186 0.89 MMP13 (0.41) LGMNHPGDKDM4EADORA3ADORA2B
SCHEMBL6814878 0.84 ALDH1A1 (0.41) LGMNHPGDKDM4EADORA3MMP13
SCHEMBL6704884 0.79 ALDH1A1 (0.40) HPGDKDM4EMEN1KMT2APOLB
SCHEMBL6702024 0.73 TRPA1 (0.48) LGMNHPGDKDM4EADORA3ADORA2B
SCHEMBL6704376 0.71 NPSR1 (0.37) ADORA2BMEN1KMT2APOLBMAPT
SCHEMBL3940708 0.69 HPGD (0.64) LGMNHPGDADORA3ADORA2BMEN1
SCHEMBL10773069 0.68 KDM4E (0.51) LGMNHPGDKDM4EADORA3ADORA2B
SCHEMBL6843728 0.68 MMP13 (0.48) LGMNADORA3ADORA2BMMP13SLC22A8
SCHEMBL6703297 0.67 MMP13 (0.42) HPGDADORA3ADORA2BMMP13SLC22A8
SCHEMBL6702169 0.66 MMP13 (0.41) MMP13SLC22A8MEN1KMT2APOLB

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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 LGMN 2029/4885HPGD 323/4885KDM4E 1991/4885

“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.