Sugi Predict

Sugi Predict / Compounds / SCHEMBL165718

SCHEMBL165718

SCHEMBL165718

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3cc(Cl)ccc3F)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.40
▸ FGFR4 P22455 2/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PPIF P30405 1/20 0.38
▸ GRIK1 P39086 1/20 0.37
▸ EPHB4 P54760 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NTRK1 P04629 2/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ GSK3A P49840 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ ACVR1 Q04771 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ RET P07949 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ MAP2K1 Q02750 1/20 0.35
▸ DAPK3 O43293 1/20 0.35

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
SCHEMBL164013 0.91 RAB9A (0.40) MEN1KMT2APPIFSMN1; SMN2NTRK1
SCHEMBL168470 0.90 KDR (0.45) FGFR1SMN1; SMN2CLK4RETPDGFRB
SCHEMBL166951 0.90 FGFR1 (0.36) FGFR1FGFR4MEN1KMT2APPIF
SCHEMBL15077847 0.90 TRPV1 (0.46) MEN1KMT2AEPHB4TP53GAA
SCHEMBL168025 0.89 NPC1 (0.43) MEN1KMT2AEPHB4SMN1; SMN2KDR
SCHEMBL167970 0.89 RIPK1 (0.47) EPHB4ABL1RETPDGFRBLCK
SCHEMBL166695 0.89 MEN1 (0.46) MEN1KMT2AEPHB4CDK8GAA
SCHEMBL165575 0.88 EPHB4 (0.46) MEN1KMT2AEPHB4NTRK1TP53
SCHEMBL168256 0.88 ROCK1 (0.44) FGFR1MEN1KMT2ASMN1; SMN2GSK3A
Hydrochloric Acid SCHEMBL168314 0.88 EPHB4 (0.45) MEN1KMT2AEPHB4NTRK1TP53

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 FGFR1 956/4885FGFR4 1668/4885MEN1 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.