SCHEMBL167153

SCHEMBL167153

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3ccccc3C#N)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
GAA P10253 4/20 0.39
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAP4K1 Q92918 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
EPHB3 P54753 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 2/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 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
SCHEMBL165126 0.88 SMN1; SMN2 (0.42) KDM4EGAAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL168670 0.87 MAPT (0.40) KDM4ESMN1; SMN2THRBHTTROCK1
SCHEMBL164668 0.87 ALDH1A1 (0.44) KDM4EGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL166419 0.86 NR1I2 (0.41) KDM4ESMN1; SMN2RAB9ANPC1HTT
SCHEMBL167600 0.86 EPHB4 (0.39) KDM4EGAAALDH1A1RAB9ANPC1
SCHEMBL164013 0.86 RAB9A (0.40) KDM4EGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL167501 0.86 DDX3X (0.41) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL167322 0.84 KDM4E (0.44) KDM4EALDH1A1TP53LMNAROCK1
SCHEMBL167481 0.84 MAPT (0.43) KDM4EGAAALDH1A1SMN1; SMN2TP53
SCHEMBL167346 0.83 BUB1 (0.43) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1

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 KDM4E 900/4885GAA 2720/4885ALDH1A1 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.