SCHEMBL4210452

SCHEMBL4210452

CCOC(=O)c1cc2c(-c3cn(CC)nc3-c3cccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)c3)ccnc2[nH]1

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 12/20 0.85
▸ CYP2D6 P10635 2/20 0.73
▸ CYP2C9 P11712 2/20 0.73
▸ AURKA O14965 8/20 0.60
▸ AURKB Q96GD4 8/20 0.60

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
SCHEMBL4215364 0.91 BRAF (0.85) BRAFCYP2D6CYP2C9AURKAAURKB
SCHEMBL13948741 0.84 BRAF (1.00) BRAFCYP2D6CYP2C9AURKAAURKB
SCHEMBL14160585 0.82 AURKA (0.79) BRAFCYP2D6CYP2C9AURKAAURKB
SCHEMBL4220074 0.82 BRAF (0.75) BRAFCYP2D6CYP2C9AURKAAURKB
SCHEMBL4212767 0.79 BRAF (0.71) BRAFCYP2D6CYP2C9AURKAAURKB
SCHEMBL1846987 0.79 BRAF (0.71) BRAFCYP2D6CYP2C9AURKAAURKB
SCHEMBL17525364 0.78 BRAF (0.80) BRAFCYP2D6CYP2C9AURKAAURKB
SCHEMBL19570224 0.78 BRAF (0.82) BRAFCYP2D6CYP2C9AURKAAURKB
SCHEMBL12685023 0.78 BRAF (0.69) BRAFCYP2D6CYP2C9AURKAAURKB
SCHEMBL12684807 0.77 BRAF (0.68) BRAFCYP2D6CYP2C9AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018156-A1 Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-15 — — US claimed
US-20090018156-A1 Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-15 — — US disclosed
US-20090018156-A1 Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-15 — — US disclosed
US-20090018156-A1 Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-15 — — US disclosed
WO-2007090141-A2 PYRROLO [2, 3, B] PYRIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-08-09 — — 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-20090018156-A1 Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors BRAF, RAF1, ARAF BRAF 1/4885CYP2D6 2776/4885CYP2C9 2974/4885

“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.

Send feedback