Sugi Predict

Sugi Predict / Compounds / SCHEMBL168329

SCHEMBL168329

SCHEMBL168329

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3cc(C)ccc3C(F)(F)F)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 4/20 0.39
▸ FLT4 P35916 3/20 0.39
▸ ACVR1 Q04771 3/20 0.39
▸ PRKD3 O94806 2/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CSNK2A1 P68400 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ STK3 Q13188 2/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ CDK8 P49336 2/20 0.39
▸ MST1R Q04912 2/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ FRK P42685 1/20 0.39
▸ PTK6 Q13882 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ MINK1 Q8N4C8 1/20 0.39
▸ HIPK4 Q8NE63 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ PBK Q96KB5 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
SCHEMBL167322 0.91 KDM4E (0.44) FLT4FLT3HIPK4AURKBMAP4K5
SCHEMBL168470 0.90 KDR (0.45) CLK4FLT4PRKD3CDK1FLT3
SCHEMBL165124 0.87 RAB9A (0.43) FLT4FLT3CDK8AURKBHCK
SCHEMBL168756 0.87 PKM (0.45) HCKMAPK12MAPK14TP53KDM4E
SCHEMBL169174 0.86 KDR (0.43) FLT3CDK8AURKBTRPV1MEN1
SCHEMBL165166 0.85 PKM (0.42) HCKMAPK12MAPK14TP53KDM4E
SCHEMBL167501 0.85 DDX3X (0.41) HCKMAPK12MAPK14TP53KDM4E
SCHEMBL165165 0.85 TRPV1 (0.46) FLT4FLT3AURKBMAPK14TRPV1
SCHEMBL167806 0.84 TRPV1 (0.48) FLT4CDK5FLT3CDK8AURKB
SCHEMBL164013 0.83 RAB9A (0.40) CDK8AURKBKDM4EMEN1KMT2A

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 CLK4 163/4885FLT4 2324/4885ACVR1 3902/4885

“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.