SCHEMBL169318

SCHEMBL169318

[2H]C([2H])([2H])Oc1cccc(NC(=O)Nc2cccc3c2ccn3C([2H])([2H])c2ccnc(N)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 11/20 0.43
ROCK1 Q13464 1/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 2/20 0.41
ROCK2 O75116 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
CDK8 P49336 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
SCHEMBL169268 0.95 PTGER3 (0.48) PTGER3ROCK1MAPTKDM4EMEN1
SCHEMBL166414 0.93 ROCK2 (0.42) PTGER3ROCK1MAPTKDM4EMEN1
SCHEMBL168263 0.89 MEN1 (0.41) ROCK1MAPTKDM4EMEN1KMT2A
SCHEMBL167748 0.89 ROCK1 (0.39) ROCK1MAPTKDM4EMEN1KMT2A
SCHEMBL166661 0.89 ROCK1 (0.40) PTGER3ROCK1ALDH1A1RAB9AROCK2
SCHEMBL165118 0.88 NAMPT (0.44) CDK8
SCHEMBL168978 0.87 ROCK2 (0.47) PTGER3ROCK1MAPTKDM4EMEN1
SCHEMBL169174 0.87 KDR (0.43) PTGER3MEN1KMT2AALDH1A1RAB9A
SCHEMBL168670 0.87 MAPT (0.40) ROCK1MAPTKDM4EMEN1KMT2A
SCHEMBL167218 0.85 TRPV1 (0.42) PTGER3ROCK1MAPTROCK2TRPV1

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 PTGER3 3994/4885ROCK1 547/4885MAPT 1276/4885

“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.