SCHEMBL165166

SCHEMBL165166

[2H]C([2H])([2H])Oc1ccc(C)cc1NC(=O)Nc1cccc2c1ccn2C([2H])([2H])c1ccnc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
HCK P08631 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK14 Q16539 1/20 0.41
EPHB4 P54760 1/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 6/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.37
ROCK1 Q13464 1/20 0.37
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
IRAK4 Q9NWZ3 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
SCHEMBL168756 0.95 PKM (0.45) PKMHCKMAPK12MAPK14EPHB4
SCHEMBL168263 0.92 MEN1 (0.41) PKMHCKMAPK12MAPK14MEN1
SCHEMBL167748 0.92 ROCK1 (0.39) PKMHCKMAPK12MAPK14MEN1
SCHEMBL168336 0.91 KMT2A (0.37) HCKMAPK12MAPK14MEN1KMT2A
Ji-101 SCHEMBL165229 0.91 EPHB4 (0.40) PKMHCKMAPK12MAPK14EPHB4
SCHEMBL165500 0.91 EPHB4 (0.41) EPHB4MEN1KMT2AMAPTKDM4E
SCHEMBL168349 0.89 KDR (0.42) HCKMAPK12MAPK14EPHB4MEN1
SCHEMBL166765 0.87 ALDH1A1 (0.48) PKMMEN1KMT2AMAPTKDM4E
SCHEMBL168470 0.87 KDR (0.45) PKMMAPTROCK1NTRK2SMN1; SMN2
SCHEMBL167481 0.87 MAPT (0.43) MEN1KMT2AMAPTKDM4EALDH1A1

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 PKM 378/4885HCK 158/4885MAPK12 186/4885

“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.