SCHEMBL9932007

SCHEMBL9932007

CN(C(=O)Nc1c(F)ccc(C(N)=O)c1F)c1ncnc2[nH]cnc12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.38
PARP1 P09874 1/20 0.33
RPS6KB1 P23443 1/20 0.31
KDR P35968 1/20 0.30
LCK P06239 1/20 0.30

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
SCHEMBL9932010 0.87 BRAF (0.41) BRAFKDRLCK
SCHEMBL9932667 0.83 JAK1 (0.40) BRAF
SCHEMBL9967956 0.78 BRAF (0.66) BRAF
SCHEMBL9932544 0.78 BRAF (0.39) BRAFPARP1RPS6KB1KDR
SCHEMBL11971840 0.74 BRAF (0.44) BRAFRPS6KB1LCK
SCHEMBL9932669 0.70 BRAF (0.43) BRAF
SCHEMBL8293815 0.69 LCK (0.45) BRAFLCK
SCHEMBL28894969 0.67 PTK2 (0.44) RPS6KB1KDR
SCHEMBL2623135 0.66 KDM4E (0.39)
SCHEMBL17372625 0.65 TARS1 (0.31)

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 1/4885PARP1 2993/4885RPS6KB1 410/4885

“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.