SCHEMBL167233

SCHEMBL167233

[2H]C([2H])(c1ccnc(N)c1)N1CCc2c(NC(=O)Nc3cc(Cl)ccc3OC)cccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 2/20 0.44
EPHB4 P54760 2/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
ALOX12 P18054 1/20 0.43
POLB P06746 3/20 0.42
IGF1R P08069 2/20 0.42
GPR52 Q9Y2T5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.41
RBP4 P02753 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
SCHEMBL165141 0.95 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EEPHB4
SCHEMBL15077844 0.90 MAPT (0.41) MEN1KMT2AEPHB4MAPTLMNA
SCHEMBL166071 0.88 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EEPHB4
SCHEMBL9989438 0.82 MAPT (0.44) MEN1KMT2AKDM4EEPHB4MAPT
SCHEMBL15077850 0.82 CCR2 (0.41) ALDH1A1MEN1KMT2AKDM4EEPHB4
SCHEMBL15052734 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4EEPHB4
SCHEMBL256206 0.81 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL15052409 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4EEPHB4
SCHEMBL15053716 0.80 IGF1R (0.47) ALDH1A1MEN1KMT2AKDM4EEPHB4
SCHEMBL165575 0.79 EPHB4 (0.46) ALDH1A1MEN1KMT2AKDM4EEPHB4

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.