SCHEMBL166765

SCHEMBL166765

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3cc(OC)ccc3OC)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 4/20 0.46
HTT P42858 3/20 0.46
GAA P10253 2/20 0.46
USP2 O75604 1/20 0.46
ROCK1 Q13464 1/20 0.44
HSP90AA1 P07900 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 1/20 0.42
RGS12 O14924 1/20 0.42
NTRK1 P04629 2/20 0.42
NTRK2 Q16620 2/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL168263 0.94 MEN1 (0.41) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL168756 0.92 PKM (0.45) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL167481 0.91 MAPT (0.43) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL168256 0.91 ROCK1 (0.44) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL165575 0.91 EPHB4 (0.46) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL168089 0.91 MAPT (0.42) ALDH1A1MEN1KMT2AKDM4EHPGD
Ji-101 SCHEMBL165822 0.91 EPHB4 (0.44) ALDH1A1MEN1KMT2AKDM4EHPGD
Hydrochloric Acid SCHEMBL168314 0.90 EPHB4 (0.45) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL168978 0.90 ROCK2 (0.47) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL169268 0.89 PTGER3 (0.48) ALDH1A1MEN1KMT2AKDM4EMAPT

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 ALDH1A1 4512/4885MEN1 3044/4885KMT2A 834/4885

“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.