SCHEMBL9967973

SCHEMBL9967973

CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2ncnc3sc(C)c(C)c23)c1F

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.63
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
RAF1 P04049 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL9967972 0.84 BRAF (0.59) BRAFSMN1; SMN2MEN1LMNARAF1
SCHEMBL9967970 0.82 BRAF (0.66) BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL9967971 0.82 BRAF (0.69) BRAFSMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL9932392 0.79 SMN1; SMN2 (0.47) SMN1; SMN2MEN1LMNARAF1KMT2A
SCHEMBL9967965 0.79 BRAF (0.79) BRAFCYP3A4
SCHEMBL9967962 0.78 BRAF (0.77) BRAFRAF1CYP3A4CYP2C9CYP2C19
SCHEMBL9967977 0.78 BRAF (0.68) BRAF
SCHEMBL9967966 0.78 BRAF (1.00) BRAF
SCHEMBL1437153 0.78 BRAF (0.87) BRAFCYP3A4
SCHEMBL9932387 0.78 SMN1; SMN2 (0.45) SMN1; SMN2MEN1LMNARAF1KMT2A

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-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
US-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
WO-2011025947-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 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-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885SMN1; SMN2 1991/4885MEN1 1047/4885

“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.