SCHEMBL4128754

SCHEMBL4128754

O=C(O)N1CCC(n2ncc(-c3ccc4c(c3)CC/C4=N\OCc3ccccc3)c2-c2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.45
MAPK3 P27361 11/20 0.45
MAPK1 P28482 11/20 0.45
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
GRIN2B Q13224 1/20 0.36
CYP46A1 Q9Y6A2 2/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL4128757 1.00 BRAF (0.45) BRAFMAPK3MAPK1CYP2D6CYP2C9
SCHEMBL4138112 0.93 GRIN2B (0.46) BRAFMAPK3MAPK1CYP2D6CYP2C9
SCHEMBL4138114 0.88 BRAF (0.41) BRAFMAPK3MAPK1CYP46A1
SCHEMBL4138109 0.88 BRAF (0.41) BRAFMAPK3MAPK1CYP46A1
SCHEMBL4133681 0.79 BRAF (0.52) BRAFMAPK3MAPK1
SCHEMBL4133680 0.79 BRAF (0.52) BRAFMAPK3MAPK1
SCHEMBL4133276 0.72 BRAF (0.66) BRAFMAPK3MAPK1
SCHEMBL4133266 0.69 GRIN2B (0.56) CYP2D6CYP2C9GRIN2B
SCHEMBL4120599 0.69 BRAF (0.70) BRAFMAPK3MAPK1
SCHEMBL4120597 0.69 BRAF (0.70) BRAFMAPK3MAPK1

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-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-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.