Sugi Predict

Sugi Predict / Compounds / SCHEMBL168349

SCHEMBL168349

SCHEMBL168349

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.42
▸ EPHB4 P54760 1/20 0.42
▸ TEK Q02763 1/20 0.42
▸ BRAF P15056 5/20 0.38
▸ RAF1 P04049 5/20 0.38
▸ MAPK14 Q16539 2/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HCK P08631 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ RIPK1 Q13546 2/20 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
SCHEMBL167503 0.95 KDR (0.46) KDREPHB4TEKBRAFRAF1
SCHEMBL168336 0.90 KMT2A (0.37) MAPK14GSK3AMAPTKDM4EMEN1
SCHEMBL165166 0.89 PKM (0.42) EPHB4MAPK14MAPTKDM4EMEN1
SCHEMBL168263 0.89 MEN1 (0.41) MAPK14MAPTKDM4EMEN1ALDH1A1
SCHEMBL167748 0.89 ROCK1 (0.39) KDRMAPK14GSK3AMAPTKDM4E
SCHEMBL165500 0.88 EPHB4 (0.41) EPHB4MAPTKDM4EMEN1LMNA
Ji-101 SCHEMBL165229 0.88 EPHB4 (0.40) KDREPHB4TEKMAPK14GSK3A
SCHEMBL5586075 0.88 KDR (0.47) KDREPHB4TEKBRAFRAF1
SCHEMBL167970 0.87 RIPK1 (0.47) KDREPHB4TEKBRAFRIPK1
SCHEMBL165165 0.86 TRPV1 (0.46) KDREPHB4TEKBRAFMAPK14

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 KDR 1965/4885EPHB4 3126/4885TEK 3520/4885

“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.