SCHEMBL103682

SCHEMBL103682

COC(COC(N)=O)C(c1ccc(Br)nc1)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
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
SCHEMBL103684 0.83 CYP26A1 (0.34) CYP26A1MMP2MMP9MMP8MMP13
SCHEMBL106837 0.70 CYP1A2 (0.37) CYP1A2SMN1; SMN2KDM4ELMNACYP2D6
SCHEMBL28840515 0.69 CYP26A1 (0.35) CYP26A1
SCHEMBL29749105 0.69 CYP26A1 (0.35) CYP26A1
SCHEMBL28840517 0.69 CYP26A1 (0.35) CYP26A1
SCHEMBL22735759 0.68 CYP26A1 (0.38) SMN1; SMN2CYP26A1
SCHEMBL22736538 0.66 POLB (0.38) CYP1A2SMN1; SMN2KDM4ELMNACYP26A1
SCHEMBL4072987 0.66 CYP1A2 (0.42) CYP1A2SMN1; SMN2KDM4ELMNACYP2D6
SCHEMBL20425505 0.66 CYP1A2 (0.42) CYP1A2SMN1; SMN2KDM4ELMNACYP2D6
SCHEMBL3165179 0.65 ALOX15 (0.35) CYP1A2SMN1; SMN2KDM4ELMNACYP2D6

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 CYP1A2 1122/4885SMN1; SMN2 3577/4885KDM4E 776/4885
US-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY PTK2B, PRKACA, DSTYK CYP1A2 4816/4885SMN1; SMN2 3148/4885KDM4E 1640/4885
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY ABL1, ERBB2, TYRO3 CYP1A2 4187/4885SMN1; SMN2 4292/4885KDM4E 1254/4885
US-20110098293-A1 Inhibitors of Protein Tyrosine Kinase Activity ABL1, ERBB2, TYRO3 CYP1A2 4187/4885SMN1; SMN2 4292/4885KDM4E 1254/4885

“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.