Sugi Predict

Sugi Predict / Compounds / SCHEMBL166661

SCHEMBL166661

SCHEMBL166661

[2H]C([2H])([2H])Oc1ccc(F)c(NC(=O)Nc2cccc3c2ccn3C([2H])([2H])c2ccnc(N)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 2/20 0.40
▸ MAPK14 Q16539 4/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ FLT1 P17948 3/20 0.35
▸ TEK Q02763 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ KDR P35968 5/20 0.34
▸ PDGFRA P16234 3/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PTGER3 P43115 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL168256 0.95 ROCK1 (0.44) ROCK1MAPK14MAPK13FLT1TEK
SCHEMBL168263 0.91 MEN1 (0.41) ROCK1MAPK14ROCK2ALDH1A1SMN1; SMN2
SCHEMBL166414 0.90 ROCK2 (0.42) ROCK1ROCK2KDRPDGFRARAB9A
SCHEMBL169318 0.89 PTGER3 (0.43) ROCK1ROCK2CDK8RAB9APTGER3
SCHEMBL168470 0.88 KDR (0.45) ROCK1MAPK13FLT1ROCK2KDR
SCHEMBL165718 0.87 FGFR1 (0.40) FLT1CDK8KDRFGFR1FGFR4
SCHEMBL164013 0.86 RAB9A (0.40) ROCK1CDK8RAB9APTGER3ALDH1A1
SCHEMBL166765 0.86 ALDH1A1 (0.48) ROCK1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL166951 0.86 FGFR1 (0.36) ROCK1FLT1TEKKDRFGFR1
SCHEMBL167748 0.86 ROCK1 (0.39) ROCK1MAPK14KDRPDGFRAALDH1A1

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 ROCK1 547/4885MAPK14 113/4885MAPK13 176/4885

“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.