SCHEMBL103684

SCHEMBL103684

COCC(OC(N)=O)C(c1ccc(Br)nc1)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.34
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL103682 0.83 CYP1A2 (0.34) CYP26A1MMP2MMP9MMP8MMP13
SCHEMBL28840517 0.75 CYP26A1 (0.35) CYP26A1
SCHEMBL28840515 0.75 CYP26A1 (0.35) CYP26A1
SCHEMBL29749105 0.75 CYP26A1 (0.35) CYP26A1
SCHEMBL106839 0.70 MMP2 (0.36) MMP2MMP9MMP8MMP13
SCHEMBL2901571 0.69 CYP26A1 (0.32) CYP26A1
SCHEMBL103683 0.68 HPGD (0.37) CYP26A1
SCHEMBL109276 0.67 KCNA5 (0.35) CYP26A1MMP2MMP9MMP8MMP13
SCHEMBL25193722 0.66 MMP2 (0.36) MMP2MMP9MMP8MMP13
SCHEMBL22735759 0.65 CYP26A1 (0.38) CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183254-B1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2017-06-21 EP disclosed
US-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2014-06-26 US disclosed
US-8759522-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-06-24 US disclosed
US-8729268-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-05-20 US disclosed
US-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS Mirati Therapeutics, Inc. 2012-04-19 US disclosed
EP-2426108-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MethylGene Inc. (CA) 2012-03-07 EP disclosed
EP-2332536-A1 Inhibitors of protein tyrosine kinase activity MethylGene Inc. (CA) 2011-06-15 EP disclosed
US-20110098293-A1 Inhibitors of Protein Tyrosine Kinase Activity OTSUKA PHARMACEUTICAL CO. LTD. (JP) 2011-04-28 US disclosed
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-03-31 US disclosed
EP-2183254-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY MethylGene Inc. (CA) 2010-05-12 EP disclosed
WO-2009026717-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2009-03-05 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 (4 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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 CYP26A1 3245/4885MMP2 4587/4885MMP9 3815/4885
US-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY PTK2B, PRKACA, DSTYK CYP26A1 4541/4885MMP2 883/4885MMP9 1238/4885
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY ABL1, ERBB2, TYRO3 CYP26A1 3925/4885MMP2 1357/4885MMP9 1406/4885
US-20110098293-A1 Inhibitors of Protein Tyrosine Kinase Activity ABL1, ERBB2, TYRO3 CYP26A1 3925/4885MMP2 1357/4885MMP9 1406/4885

“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.