SCHEMBL9931540

SCHEMBL9931540

CC(C)CS(=O)(=O)Nc1ccc(F)c(NC(=O)c2csc3c(N)ncnc23)c1Cl

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.80
RAF1 P04049 7/20 0.60
CYP2C9 P11712 2/20 0.60
ERN1 O75460 3/20 0.56
CSF1R P07333 5/20 0.48
DDR1 Q08345 4/20 0.48
DDR2 Q16832 4/20 0.48
ARAF P10398 1/20 0.46
CYP3A4 P08684 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
SCHEMBL9930915 0.92 BRAF (0.67) BRAFRAF1CYP2C9ERN1CSF1R
SCHEMBL10251254 0.92 BRAF (0.80) BRAFRAF1CYP2C9ERN1CSF1R
SCHEMBL10251044 0.91 BRAF (0.89) BRAFRAF1CYP2C9ERN1CSF1R
SCHEMBL10251052 0.89 BRAF (1.00) BRAFRAF1CYP2C9ERN1CSF1R
SCHEMBL10251105 0.88 BRAF (0.80) BRAFRAF1CYP2C9ERN1CSF1R
SCHEMBL10254593 0.87 BRAF (0.83) BRAFRAF1CYP2C9ERN1CSF1R
SCHEMBL10251251 0.86 BRAF (0.77) BRAFRAF1CYP2C9ERN1CSF1R
SCHEMBL12825907 0.84 BRAF (0.80) BRAFRAF1CYP2C9ERN1CYP3A4
SCHEMBL10251029 0.83 BRAF (0.88) BRAFRAF1CYP2C9ERN1CSF1R
SCHEMBL9930375 0.80 BRAF (0.84) BRAFRAF1CYP2C9ERN1CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
WO-2011025940-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-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885CYP2C9 2926/4885

“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.