SCHEMBL164668

SCHEMBL164668

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3cccc(C#N)c3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 2/20 0.43
EPHB4 P54760 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDR P35968 2/20 0.41
EGFR P00533 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
PPIA P62937 1/20 0.41
CCR3 P51677 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BLM P54132 1/20 0.39
GPR142 Q7Z601 1/20 0.39

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
SCHEMBL165126 0.92 SMN1; SMN2 (0.42) ALDH1A1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL168670 0.89 MAPT (0.40) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL167153 0.87 KDM4E (0.39) ALDH1A1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL166850 0.87 KMT2A (0.42) SMN1; SMN2MAPTMEN1KMT2AKDR
SCHEMBL167218 0.87 TRPV1 (0.42) MAPTEPHB4KDREGFRFLT1
SCHEMBL166695 0.87 MEN1 (0.46) ALDH1A1KDM4EGAAMAPTEPHB4
SCHEMBL169174 0.87 KDR (0.43) ALDH1A1SMN1; SMN2GAAEPHB4MEN1
SCHEMBL169268 0.85 PTGER3 (0.48) ALDH1A1KDM4ESMN1; SMN2GAAMAPT
SCHEMBL167806 0.85 TRPV1 (0.48) EPHB4MEN1KMT2AKDREGFR
SCHEMBL168209 0.84 KDR (0.37) MAPTMEN1KMT2AKDREGFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US 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 4512/4885KDM4E 900/4885SMN1; SMN2 3318/4885

“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.