SCHEMBL4220074

SCHEMBL4220074

CCOC(=O)c1cc2c(-c3cn(CC)nc3-c3cccc(N)c3)ccnc2[nH]1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.75
AURKA O14965 12/20 0.49
AURKB Q96GD4 12/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
PLK4 O00444 1/20 0.48
CIT O14578 1/20 0.48
EPHB6 O15197 1/20 0.48
RIPK2 O43353 1/20 0.48
ROCK2 O75116 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
NTRK1 P04629 1/20 0.48
RET P07949 1/20 0.48
CYP3A4 P08684 1/20 0.48
FGFR1 P11362 1/20 0.48
FLT1 P17948 1/20 0.48
FECH P22830 1/20 0.48
DCK P27707 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL4212767 0.87 BRAF (0.71) BRAFAURKAAURKBCYP2D6CYP2C9
SCHEMBL13969679 0.84 BRAF (0.55) BRAFAURKAAURKBCYP2D6CYP2C9
SCHEMBL4210452 0.82 BRAF (0.85) BRAFAURKAAURKBCYP2D6CYP2C9
SCHEMBL13969680 0.81 BRAF (0.51) BRAFAURKAAURKBCYP2D6CYP2C9
SCHEMBL4218373 0.78 BRAF (0.68) BRAFAURKAAURKBCYP2D6CYP2C9
SCHEMBL14160547 0.75 AURKA (0.69) AURKAAURKBCYP2D6CYP2C9PLK4
SCHEMBL4305003 0.75 AURKB (0.55) BRAFAURKAAURKBCYP2D6CYP2C9
SCHEMBL13969683 0.73 BRAF (0.56) BRAFAURKAAURKBCYP2D6CYP2C9
SCHEMBL13969814 0.73 BRAF (0.57) BRAFAURKAAURKBCYP2D6CYP2C9
SCHEMBL4322016 0.73 AURKB (0.58) BRAFAURKAAURKBCYP2D6CYP2C9

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 3 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 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 1/4885AURKA 389/4885AURKB 345/4885

“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.