SCHEMBL106838

SCHEMBL106838

COCCNC(=O)OCc1ccc(Br)nc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
GLA P06280 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HDAC1 Q13547 1/20 0.41
NPC1 O15118 1/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 1/20 0.40
RECQL P46063 1/20 0.39
HPGD P15428 2/20 0.39
FAAH O00519 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL20641525 0.80 STK17B (0.48) L3MBTL1MAPTFAAHHTTKMT2A
SCHEMBL23910168 0.80 TSHR (0.37) L3MBTL1GLAKDM4ENPC1RAB9A
SCHEMBL5063193 0.76 LMNA (0.77) L3MBTL1MAPTSMN1; SMN2LMNANPC1
SCHEMBL22154185 0.75 SMN1; SMN2 (0.54) L3MBTL1GLAKDM4EMAPTSMN1; SMN2
SCHEMBL29545943 0.73 CYP11B1 (0.42) NPC1RAB9A
SCHEMBL744790 0.73 CYP11B1 (0.42) NPC1RAB9A
SCHEMBL29487186 0.73 L3MBTL1 (0.50) L3MBTL1GLAKDM4EHDAC1HTT
SCHEMBL103374 0.73 L3MBTL1 (0.50) L3MBTL1GLAKDM4EHDAC1HTT
SCHEMBL22804427 0.72 GLA (0.62) L3MBTL1GLAKDM4EMAPTSMN1; SMN2
SCHEMBL1171911 0.72 CYP11B1 (0.37) L3MBTL1GLAKDM4E

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 L3MBTL1 3216/4885GLA 4112/4885KDM4E 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.