SCHEMBL1702769

SCHEMBL1702769

C[Si](C)(C)OC1=CCCc2ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
CHEK2 O96017 1/20 0.33
ROS1 P08922 1/20 0.33
MARK3 P27448 1/20 0.33
LTK P29376 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
AURKB Q96GD4 1/20 0.33
PBK Q96KB5 1/20 0.33
STK17A Q9UEE5 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33
PSMB5 P28074 1/20 0.31
PNMT P11086 1/20 0.30
ASIC3 Q9UHC3 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL8772548 0.77 CES1 (0.35) TYMSL3MBTL1MAOAMAOB
SCHEMBL29446604 0.77 CES1 (0.35) TYMSL3MBTL1MAOAMAOB
SCHEMBL9483990 0.73 PARP10 (0.43) TYMSTDP1L3MBTL1PARP1PARP10
SCHEMBL14172752 0.72 NPY5R (0.40) TYMSALOX5MAOAMAOBMTNR1B
SCHEMBL629499 0.71 MPO (0.57)
SCHEMBL29341169 0.71 APLNR (0.34) TYMSTDP1L3MBTL1PARP1PARP10
SCHEMBL22685317 0.70 TDP1 (0.39) TDP1L3MBTL1PARP1PARP10
SCHEMBL28569205 0.69 PARP10 (0.43) TYMSTDP1L3MBTL1PARP1PARP10
SCHEMBL6097069 0.69 PARP10 (0.40) TYMSTDP1L3MBTL1PARP1PARP10
SCHEMBL14059486 0.68 TDP1 (0.54) TYMSTDP1L3MBTL1PARP1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP disclosed
US-8487103-B2 Quinoline inhibitors of hepatitis C virus polymerase ROCHE PALO ALTO LLC (US) 2013-07-16 US disclosed
EP-2440528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
US-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-12-08 US disclosed
US-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 US disclosed
WO-2010142656-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 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 (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-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, XDH, GTF3C4 TYMS 1197/4885TDP1 2359/4885L3MBTL1 3208/4885
US-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, ZC3HAV1, IRF3 TYMS 1093/4885TDP1 3368/4885L3MBTL1 1691/4885

“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.