Sugi Predict

Sugi Predict / Compounds / SCHEMBL4128331

SCHEMBL4128331

SCHEMBL4128331

O/N=C1\CCc2cc(-c3cn(C4CCCC4)nc3-c3ccncc3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 20/20 1.00
▸ MAPK3 P27361 18/20 1.00
▸ MAPK1 P28482 18/20 1.00
▸ BMPR1B O00238 2/20 0.64
▸ CIT O14578 2/20 0.64
▸ RIPK2 O43353 2/20 0.64
▸ STK10 O94804 2/20 0.64
▸ MAP4K4 O95819 2/20 0.64
▸ ABL1 P00519 2/20 0.64
▸ RAF1 P04049 2/20 0.64
▸ ERBB3 P21860 2/20 0.64
▸ JAK1 P23458 2/20 0.64
▸ ACVR1B P36896 2/20 0.64
▸ TGFBR1 P36897 2/20 0.64
▸ CSNK1D P48730 2/20 0.64
▸ CSNK1E P49674 2/20 0.64
▸ MAPK10 P53779 2/20 0.64
▸ MAP2K5 Q13163 2/20 0.64
▸ MAP3K19 Q56UN5 2/20 0.64
▸ MINK1 Q8N4C8 2/20 0.64

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
SCHEMBL4128333 1.00 BRAF (1.00) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL4138151 0.91 BRAF (1.00) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL13772932 0.91 BRAF (1.00) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL4133601 0.91 BRAF (1.00) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL13772919 0.91 BRAF (1.00) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL4133704 0.91 BRAF (1.00) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL4133604 0.91 BRAF (1.00) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL13772921 0.90 BRAF (1.00) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL13930046 0.90 BRAF (1.00) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL13772920 0.90 BRAF (1.00) BRAFMAPK3MAPK1BMPR1BCIT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491829-B2 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. (US) 2009-02-17 — — US claimed
US-20060189627-A1 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. 2006-08-24 — — US claimed
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS LAIRD ELLEN 2009-07-09 — — US disclosed
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS LAIRD ELLEN 2009-07-09 — — US disclosed
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS LAIRD ELLEN 2009-07-09 — — US disclosed
US-7491829-B2 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. (US) 2009-02-17 — — US disclosed
US-7491829-B2 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. (US) 2009-02-17 — — US disclosed
US-7491829-B2 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. (US) 2009-02-17 — — US disclosed
US-20060189627-A1 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. 2006-08-24 — — US 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 (2 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-20060189627-A1 RAF inhibitor compounds and methods BRAF, RAF1, ARAF BRAF 1/4885MAPK3 55/4885MAPK1 57/4885
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS BRAF, RAF1, ARAF BRAF 1/4885MAPK3 55/4885MAPK1 57/4885

“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.