SCHEMBL6237879

SCHEMBL6237879

COc1ccc(CNC(=O)c2ccc3[nH]c(=O)n(C(C)c4ccc(C(=O)OCCN(C)C)c(OC)c4)c(=O)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
DRD3 P35462 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.42
ACHE P22303 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
USP2 O75604 1/20 0.41
KDM4E B2RXH2 2/20 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
SCHEMBL7016936 0.94 MEN1 (0.45) DRD2DRD3HRH3MEN1KMT2A
SCHEMBL6236683 0.92 MEN1 (0.47) DRD2DRD3HRH3MEN1KMT2A
SCHEMBL6433406 0.90 MEN1 (0.50) DRD2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6236712 0.87 MEN1 (0.52) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL6727454 0.84 MEN1 (0.50) DRD2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6233925 0.84 MEN1 (0.51) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL6232952 0.83 MAPT (0.47) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL6218995 0.83 MEN1 (0.54) DRD2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6234330 0.83 MEN1 (0.49) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL7624469 0.83 MEN1 (0.50) DRD2MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP claimed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
EP-1536786-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
EP-1531904-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-25 EP disclosed
WO-2004007024-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006913-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 DRD2 1168/4885DRD3 720/4885HRH3 501/4885

“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.