Sugi Predict

Sugi Predict / Compounds / SCHEMBL5106641

SCHEMBL5106641

SCHEMBL5106641

COCCN1CCN(CC(=O)N2CCCC(c3cc(-c4ccc5c(c4)CC/C5=N\O)c(-c4ccncc4)o3)C2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 19/20 0.76
▸ MAPK3 P27361 9/20 0.48
▸ MAPK1 P28482 9/20 0.48
▸ BMPR1B O00238 2/20 0.38
▸ CIT O14578 2/20 0.38
▸ RIPK2 O43353 2/20 0.38
▸ STK10 O94804 2/20 0.38
▸ MAP4K4 O95819 2/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ RAF1 P04049 2/20 0.38
▸ ERBB3 P21860 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ ACVR1B P36896 2/20 0.38
▸ TGFBR1 P36897 2/20 0.38
▸ CSNK1D P48730 2/20 0.38
▸ CSNK1E P49674 2/20 0.38
▸ MAPK10 P53779 2/20 0.38
▸ MAP2K5 Q13163 2/20 0.38
▸ MAP3K19 Q56UN5 2/20 0.38
▸ MINK1 Q8N4C8 2/20 0.38

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
SCHEMBL5106650 1.00 BRAF (0.76) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL5202352 1.00 BRAF (0.76) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL5106722 0.93 BRAF (0.63) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL5203298 0.93 BRAF (0.63) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL5106719 0.93 BRAF (0.63) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL5106232 0.91 BRAF (0.61) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL5106229 0.91 BRAF (0.61) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL5201207 0.91 BRAF (0.61) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL5204757 0.90 BRAF (0.60) BRAFMAPK3MAPK1BMPR1BCIT
SCHEMBL5115999 0.90 BRAF (0.60) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452906-B2 Pyridine derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2008-11-18 — — US claimed
US-20040235843-A1 Pyridine derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-11-25 — — US claimed
EP-1423384-B1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2007-05-23 — — EP disclosed
US-20050176740-A1 Cancer treatment method comprising administering an erb-family inhibitor and a raf and/or ras inhibitor SMITHKLINE BEECHAM CORPORATION 2005-08-11 — — US disclosed
EP-1492568-A1 CANCER TREATMENT METHOD COMPRISING ADMINISTRATION OF AN ERB-FAMILY INHIBITOR AND A RAF AND/OR RAS INHIBITOR SmithKline Beecham Corporation (US) 2005-01-05 — — EP disclosed
WO-2003086467-A1 CANCER TREATMENT METHOD COMPRISING ADMINISTERING AN ERB-FAMILY INHIBITOR AND A RAF AND/OR RAS INHIBITOR SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 — — 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 (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-20050176740-A1 Cancer treatment method comprising administering an erb-family inhibitor and a raf and/or ras inhibitor BRAF, KRAS, NRAS BRAF 1/4885MAPK3 488/4885MAPK1 639/4885
US-20040235843-A1 Pyridine derivatives as raf kinase inhibitors BRAF, RAF1, ARAF BRAF 1/4885MAPK3 57/4885MAPK1 41/4885

“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.