SCHEMBL4452992

SCHEMBL4452992

COC[C@H](C(=O)O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.38
AAK1 Q2M2I8 2/20 0.36
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
REN P00797 1/20 0.31

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
SCHEMBL4445820 1.00 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL25185703 1.00 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL4452998 0.87 MMP13 (0.36) MMP13AAK1MEN1GAAKMT2A
SCHEMBL25185757 0.87 MMP13 (0.36) MMP13AAK1MEN1GAAKMT2A
SCHEMBL28922954 0.86 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL8175866 0.86 AAK1 (0.36) MMP13AAK1HDAC6HDAC1HDAC2
SCHEMBL29400845 0.86 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL29233850 0.86 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL31407669 0.84 AAK1 (0.35) MMP13AAK1
SCHEMBL4705364 0.83 AAK1 (0.36) MMP13AAK1MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632840-B2 Quinazoline compounds for the treatment of hyperproliferative disorders ASTRAZENECA AB (SE) 2009-12-15 US disclosed
EP-1713781-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
US-20070293490-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-12-20 US disclosed
EP-1713781-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005075439-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-18 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 (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-20070293490-A1 Quinazoline Derivatives CCNA1, CCND3, CCND2 MMP13 4321/4885AAK1 1714/4885MEN1 105/4885

“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.