SCHEMBL257377

SCHEMBL257377

NC(=O)Nc1cccc2c1CCN2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
KDM4E B2RXH2 2/20 0.45
P2RX7 Q99572 2/20 0.36
CRBN Q96SW2 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
NOTUM Q6P988 1/20 0.35
PARP1 P09874 3/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.35
IKBKB O14920 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4569778 0.82 MEN1 (0.53) GAAKDM4EMAPTPOLBALDH1A1
SCHEMBL174238 0.81 DDX3X (0.52) GAAKDM4EMAPTPOLBALDH1A1
SCHEMBL175199 0.81 HTT (0.51) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL175017 0.79 GAA (0.56) GAAKDM4ECYP1A2ALDH1A1L3MBTL1
SCHEMBL173758 0.78 SMN1; SMN2 (0.53) GAAKDM4EMAPTGFERPOLB
SCHEMBL173797 0.78 MEN1 (0.54) KDM4EPOLBCYP1A2ALDH1A1NPC1
SCHEMBL21605136 0.78 NOTUM (0.40) P2RX7CRBNNOTUMPARP1
Hydrochloric Acid SCHEMBL21598427 0.76 NOTUM (0.39) GAAP2RX7NOTUMPARP1POLB
SCHEMBL174936 0.76 MEN1 (0.51) MAPTPOLBALDH1A1NPC1RAB9A
SCHEMBL174930 0.76 RAB9A (0.52) GAAKDM4EMAPTGFERPOLB

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 3 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 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 GAA 2720/4885KDM4E 900/4885P2RX7 4035/4885

“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.