SCHEMBL1492014

SCHEMBL1492014

CCCS(=O)(=O)Nc1cccc(NC(=O)c2csc3c(NCc4ccc(OC)cc4OC)ncnc23)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.50
CYP2C9 P11712 5/20 0.40
RAF1 P04049 1/20 0.40
CYP1A2 P05177 6/20 0.40
CYP3A4 P08684 6/20 0.40
CYP2D6 P10635 6/20 0.40
CYP2C19 P33261 6/20 0.40
CLK4 Q9HAZ1 4/20 0.40
USP2 O75604 4/20 0.40
AURKA O14965 3/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 3/20 0.40
RPS6KB1 P23443 2/20 0.40
HIF1A Q16665 2/20 0.40
ERN1 O75460 1/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 3/20 0.40
AURKB Q96GD4 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 4/20 0.38

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
SCHEMBL9930964 0.92 BRAF (0.49) BRAFCYP2C9RAF1CYP1A2CYP3A4
SCHEMBL9930354 0.80 BRAF (0.49) BRAFCYP2C9RAF1CYP1A2CYP3A4
SCHEMBL1461857 0.80 AURKA (0.53) BRAFCYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL2233967 0.79 AURKA (0.47) BRAFCYP2C9RAF1CYP1A2CYP3A4
SCHEMBL9930535 0.79 BRAF (0.51) BRAFCYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL1492032 0.78 BRAF (0.78) BRAFCYP2C9RAF1ERN1CSF1R
SCHEMBL1461792 0.78 AURKA (0.53) BRAFCYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL9930247 0.77 CYP1A2 (0.50) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9930489 0.77 KDM4C (0.53) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10254687 0.74 BRAF (0.73) BRAFCYP2C9RAF1ERN1

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
EP-2470538-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP 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 1/4885CYP2C9 2926/4885RAF1 2/4885

“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.