SCHEMBL9930345

SCHEMBL9930345

CCCS(=O)(=O)N(Cc1ccc(OC)cc1)c1ccc(F)c(NC(=O)c2c[nH]c3c(Cl)ncnc23)c1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.37
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 3/20 0.34
APLNR P35414 2/20 0.33
TP53 P04637 2/20 0.33
HAT1 O14929 2/20 0.32
EP300 Q09472 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C9 P11712 2/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL9930333 0.86 BRAF (0.49) BRAFTP53CYP2C9
SCHEMBL9930219 0.82 BRAF (0.48) BRAFTP53LMNAMAPTKDM4E
SCHEMBL14574720 0.80 BRAF (0.47) BRAF
SCHEMBL1492061 0.80 BRAF (0.52) BRAFTP53CYP2C9
SCHEMBL9930834 0.79 BRAF (0.49) BRAFTP53CYP2C9
SCHEMBL14574677 0.79 BRAF (0.42) BRAFTP53LMNAMAPT
SCHEMBL14574876 0.79 BRAF (0.36) BRAFAPLNRTP53LMNAMAPT
SCHEMBL9930556 0.79 BRAF (0.48) BRAFAPLNRTP53KDM4EMAPK1
SCHEMBL9930341 0.79 BRAF (0.48) BRAFAPLNRTP53CYP2C9
SCHEMBL9931391 0.79 BRAF (0.42) BRAFTP53LMNAMAPT

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-20120157439-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-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885CYP3A4 2785/4885CYP2C19 2795/4885

“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.