SCHEMBL103683

SCHEMBL103683

COCCNC(=O)OC(c1ccc(Br)nc1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 4/20 0.36
RECQL P46063 1/20 0.35
CYP26A1 O43174 2/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM1 Q13255 1/20 0.34
P2RX7 Q99572 1/20 0.34
HCAR3 P49019 1/20 0.33
GRIN2B Q13224 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL106838 0.72 L3MBTL1 (0.47) HPGDKDM4EGLAL3MBTL1RAB9A
SCHEMBL109276 0.68 KCNA5 (0.35) KDM4EALDH1A1CYP26A1MEN1KMT2A
SCHEMBL29283265 0.68 GABRA5 (0.46) HPGDKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL103684 0.68 CYP26A1 (0.34) CYP26A1
SCHEMBL1141772 0.67 STK17B (0.40) MEN1KMT2A
SCHEMBL25030252 0.67 GABRA5 (0.45) HPGDRAB9ASMN1; SMN2NPC1POLB
SCHEMBL15717952 0.67 CA12 (0.58) HTT
SCHEMBL1141433 0.66 AAK1 (0.41) L3MBTL1CYP26A1
SCHEMBL30692794 0.66 NPC1 (0.40) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL508699 0.66 CYP26A1 (0.31) 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 HPGD 1051/4885KDM4E 776/4885GLA 4112/4885
US-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY PTK2B, PRKACA, DSTYK HPGD 2714/4885KDM4E 1640/4885GLA 1617/4885
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY ABL1, ERBB2, TYRO3 HPGD 3391/4885KDM4E 1254/4885GLA 3054/4885
US-20110098293-A1 Inhibitors of Protein Tyrosine Kinase Activity ABL1, ERBB2, TYRO3 HPGD 3391/4885KDM4E 1254/4885GLA 3054/4885

“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.