SCHEMBL9932228

SCHEMBL9932228

COc1n[nH]c2ncnc(NC(=O)Nc3c(F)ccc(N)c3F)c12

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.67
CCR4 P51679 1/20 0.40
MAPK1 P28482 10/20 0.36
TEK Q02763 2/20 0.33
KDR P35968 1/20 0.33
FLT1 P17948 1/20 0.33

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
SCHEMBL9932720 0.92 BRAF (0.62) BRAFCCR4MAPK1TEKKDR
SCHEMBL9932683 0.90 BRAF (0.56) BRAFCCR4MAPK1KDR
SCHEMBL9932385 0.90 BRAF (0.60) BRAFCCR4MAPK1KDR
SCHEMBL9933204 0.88 BRAF (0.73) BRAFCCR4MAPK1
SCHEMBL9932224 0.88 BRAF (0.65) BRAFCCR4MAPK1
SCHEMBL9932914 0.85 BRAF (0.49) BRAFMAPK1KDRFLT1
SCHEMBL9967958 0.83 BRAF (0.89) BRAFCCR4
SCHEMBL9932715 0.83 BRAF (0.59) BRAFCCR4MAPK1
SCHEMBL9932383 0.82 BRAF (0.59) BRAFCCR4MAPK1KDR
SCHEMBL9967966 0.81 BRAF (1.00) BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 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 (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-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885CCR4 3948/4885MAPK1 42/4885

“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.