SCHEMBL5697122

SCHEMBL5697122

O=c1c2cc(C#CCOc3ccncc3)ccc2ncn1Cc1ccc(F)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.56
PDPK1 O15530 13/20 0.53

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
SCHEMBL6426196 0.93 MMP13 (0.63) MMP13PDPK1
SCHEMBL5696853 0.83 MMP13 (0.73) MMP13PDPK1
SCHEMBL6298027 0.82 MMP13 (0.81) MMP13PDPK1
SCHEMBL5696937 0.77 MMP13 (0.78) MMP13PDPK1
SCHEMBL30573507 0.76 GRK2 (0.48) MMP13PDPK1
SCHEMBL5697278 0.75 MMP13 (0.79) MMP13PDPK1
SCHEMBL6663871 0.74 MMP13 (0.63) MMP13PDPK1
SCHEMBL6297360 0.73 MMP13 (0.85) MMP13
SCHEMBL6302790 0.72 MMP13 (0.69) MMP13PDPK1
SCHEMBL6297353 0.72 MMP13 (1.00) MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492775-A2 OXO-AZABICYCLIC COMPOUNDS Warner-Lambert Company LLC (US) 2005-01-05 EP claimed
US-20030220355-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-27 US claimed
US-20030216402-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-20 US claimed
WO-2003076417-A2 OXO-AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 WO claimed
EP-1680125-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR Warner-Lambert Company LLC (US) 2006-07-19 EP disclosed
US-6894057-B2 Oxo-azabicyclic compounds WARNER-LAMBERT COMPANY (US) 2005-05-17 US disclosed
WO-2005002585-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
EP-1492775-A2 OXO-AZABICYCLIC COMPOUNDS Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed
US-6747147-B2 INHIBITORS OF TYPE-13 MATRIX METTALOPROTEASE. RHEUMATOID ARTHRITIS OR OSTEOARTHRITIS, AS WELL AS CERTAIN PROLIFERATIVE CONDITIONS SUCH AS CANCERS, PARTICULARLY HUMAN BREAST CANCER WARNER-LAMBERT COMPANY 2004-06-08 US disclosed
US-20030220355-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-27 US disclosed
US-20030216402-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-20 US disclosed
WO-2003076417-A2 OXO-AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 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 (3 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-20030216402-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, XDH MMP13 1/4885PDPK1 4673/4885
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 MMP13 1/4885PDPK1 2000/4885
US-20030220355-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, CA13 MMP13 1/4885PDPK1 4624/4885

“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.