SCHEMBL106837

SCHEMBL106837

COC(COC(N)=O)Cc1ccc(Br)nc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FPR2 P25090 1/20 0.34
CPB2 Q96IY4 3/20 0.33
FFAR1 O14842 1/20 0.32
GLA P06280 1/20 0.32
CYP11B1 P15538 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 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
SCHEMBL106839 0.82 MMP2 (0.36) SIRT2MMP2MMP9MMP8MMP13
SCHEMBL28559911 0.77 RECQL (0.44) CYP1A2SMN1; SMN2KDM4ELMNAPKM
SCHEMBL4200153 0.75 ALDH1A1 (0.45) SIRT2MMP2MMP9MMP8MMP13
SCHEMBL5737786 0.75 SIRT2 (0.43) SIRT2MMP2MMP9MMP8MMP13
SCHEMBL13550944 0.73 SIRT2 (0.44) SIRT2MMP2MMP9MMP8MMP13
SCHEMBL2072199 0.71 HSD17B10 (0.41) KDM4EPKMFPR2CPB2CYP11B1
SCHEMBL2072202 0.71 HSD17B10 (0.41) KDM4EPKMFPR2CPB2CYP11B1
SCHEMBL103682 0.70 CYP1A2 (0.34) CYP1A2SMN1; SMN2KDM4ELMNAMMP2
SCHEMBL2713830 0.70 CA2 (0.48) FPR2CYP11B1
SCHEMBL4072789 0.69 SLC7A5 (0.40) CYP1A2LMNASIRT2MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed
US-8569503-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2013-10-29 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-2183255-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MethylGene Inc. (CA) 2010-05-12 EP disclosed
WO-2009026720-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS 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 (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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 CYP1A2 1122/4885SMN1; SMN2 3577/4885KDM4E 776/4885

“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.