SCHEMBL168263

SCHEMBL168263

[2H]C([2H])([2H])Oc1ccc(OC([2H])([2H])[2H])c(NC(=O)Nc2cccc3c2ccn3C([2H])([2H])c2ccnc(N)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ROCK1 Q13464 1/20 0.40
MAPT P10636 4/20 0.40
HTT P42858 3/20 0.40
GAA P10253 2/20 0.40
USP2 O75604 1/20 0.40
HSP90AA1 P07900 1/20 0.36
HCK P08631 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK14 Q16539 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NTRK1 P04629 2/20 0.36
NTRK2 Q16620 2/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL166765 0.94 ALDH1A1 (0.48) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL165166 0.92 PKM (0.42) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL167748 0.92 ROCK1 (0.39) MEN1KMT2AALDH1A1KDM4EROCK1
SCHEMBL165500 0.91 EPHB4 (0.41) MEN1KMT2AHPGDKDM4EMAPT
SCHEMBL166661 0.91 ROCK1 (0.40) ALDH1A1ROCK1HCKMAPK12MAPK14
SCHEMBL168336 0.91 KMT2A (0.37) MEN1KMT2AALDH1A1HPGDKDM4E
Ji-101 SCHEMBL165229 0.91 EPHB4 (0.40) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL166414 0.90 ROCK2 (0.42) MEN1KMT2AALDH1A1KDM4EROCK1
SCHEMBL169318 0.89 PTGER3 (0.43) MEN1KMT2AALDH1A1KDM4EROCK1
SCHEMBL168349 0.89 KDR (0.42) MEN1KMT2AALDH1A1KDM4EMAPT

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-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 EP claimed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US claimed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 WO claimed
EP-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 EP disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 MEN1 3044/4885KMT2A 834/4885ALDH1A1 4512/4885

“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.