Sugi Predict

Sugi Predict / Compounds / SCHEMBL168336

SCHEMBL168336

SCHEMBL168336

[2H]C([2H])([2H])Oc1ccc(F)cc1NC(=O)Nc1cccc2c1ccn2C([2H])([2H])c1ccnc(N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ ROCK1 Q13464 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ MAPK14 Q16539 3/20 0.36
▸ HCK P08631 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ PTGER3 P43115 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BUB1 O43683 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33

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
SCHEMBL168089 0.95 MAPT (0.42) KMT2AMAPTMEN1HTTROCK1
SCHEMBL167748 0.93 ROCK1 (0.39) KMT2AMAPTMEN1ROCK1MAPK14
SCHEMBL168263 0.91 MEN1 (0.41) KMT2AMAPTMEN1HTTROCK1
SCHEMBL165166 0.91 PKM (0.42) KMT2AMAPTMEN1ROCK1IRAK4
SCHEMBL165500 0.91 EPHB4 (0.41) KMT2AMAPTMEN1IRAK4KDM4E
Ji-101 SCHEMBL165229 0.91 EPHB4 (0.40) KMT2AMAPTMEN1HTTROCK1
SCHEMBL168349 0.90 KDR (0.42) KMT2AMAPTMEN1MAPK14HCK
SCHEMBL167481 0.88 MAPT (0.43) KMT2AMAPTMEN1ROCK1KDM4E
SCHEMBL168756 0.86 PKM (0.45) KMT2AMAPTMEN1HTTIRAK4
SCHEMBL166765 0.86 ALDH1A1 (0.48) KMT2AMAPTMEN1HTTROCK1

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 KMT2A 834/4885MAPT 1276/4885MEN1 3044/4885

“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.