SCHEMBL4215142

SCHEMBL4215142

CC(C)(C)[Si](OCc1csc(C(=O)O)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.50
P2RY2 P41231 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHRM3 P20309 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
ALK Q9UM73 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
MMP12 P39900 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALAD P13716 2/20 0.32
ABL1 P00519 1/20 0.32
SLC16A3 O15427 1/20 0.32

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
SCHEMBL3934611 0.81 LTB4R (0.33) ALK
SCHEMBL3932788 0.80 SMYD2 (0.32) NPSR1ALK
SCHEMBL4886839 0.78 SMYD2 (0.31)
SCHEMBL9342265 0.77 RXRA (0.51) POLBHPGDRXRARXRBRXRG
SCHEMBL1314001 0.75 AGXT (0.42) MAPT
SCHEMBL6170674 0.75 HIF1A (0.44) HPGDABL1
SCHEMBL3936379 0.75
SCHEMBL3934729 0.75
SCHEMBL6172243 0.74 MEN1 (0.38) MAPTRXRARXRBRXRG
SCHEMBL3939800 0.74 SLC1A3 (0.36) MAPTSLC16A3

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-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 US disclosed
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors ASTRAZENECA AB (SE) 2008-08-28 US disclosed
EP-1789399-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS AstraZeneca AB (SE) 2007-05-30 EP disclosed
WO-2006024834-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2006-03-09 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 (2 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-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF DAO 2608/4885P2RY2 2464/4885MAPT 4337/4885
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors BRAF, NRAS, ARAF DAO 1959/4885P2RY2 1303/4885MAPT 4559/4885

“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.