SCHEMBL9930964

SCHEMBL9930964

CCCS(=O)(=O)Nc1cccc(NC(=O)c2csc3c(NCc4ccc(OC)cc4OC)ncnc23)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.49
CYP1A2 P05177 9/20 0.40
CYP3A4 P08684 9/20 0.40
CYP2D6 P10635 9/20 0.40
CYP2C19 P33261 9/20 0.40
CYP2C9 P11712 7/20 0.40
CLK4 Q9HAZ1 5/20 0.40
USP2 O75604 4/20 0.40
MAPK1 P28482 4/20 0.40
HIF1A Q16665 3/20 0.40
LMNA P02545 3/20 0.40
AURKA O14965 2/20 0.40
RPS6KB1 P23443 2/20 0.40
CSF1R P07333 1/20 0.40
HSD17B10 Q99714 5/20 0.40
TSHR P16473 4/20 0.40
AURKB Q96GD4 1/20 0.39
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL1492014 0.92 BRAF (0.50) BRAFCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1461857 0.88 AURKA (0.53) BRAFCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2233967 0.79 AURKA (0.47) BRAFCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9930824 0.78 BRAF (0.75) BRAFCYP2C9CSF1RRAF1
SCHEMBL9930489 0.77 KDM4C (0.53) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL9930247 0.77 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL1461792 0.75 AURKA (0.53) BRAFCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9930354 0.74 BRAF (0.49) BRAFCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10251149 0.74 BRAF (0.66) BRAFCYP2C9CSF1RRAF1ERN1
SCHEMBL9930535 0.73 BRAF (0.51) BRAFCYP1A2CYP3A4CYP2D6CYP2C19

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 1/4885CYP1A2 2189/4885CYP3A4 2785/4885

“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.