SCHEMBL1702303

SCHEMBL1702303

COc1c(C2(C(F)F)CC2)cc(-c2ccc(C)[nH]c2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 10/20 0.37
DYRK1B Q9Y463 2/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
PIP4K2A P48426 4/20 0.36
PIP4K2B P78356 3/20 0.36
PTPN11 Q06124 1/20 0.35
TDP2 O95551 1/20 0.35
KIT P10721 1/20 0.34

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
SCHEMBL12302386 0.92 MAPK10 (0.37) MAPK10DYRK1BCLK1DYRK1ADYRK2
SCHEMBL16152427 0.86 MAPK10 (0.37) MAPK10DYRK1BCLK1DYRK1ADYRK2
SCHEMBL12302411 0.83 MAPK10 (0.41) MAPK10DYRK1BCLK1DYRK1ADYRK2
SCHEMBL16508262 0.83 DYRK1B (0.41) MAPK10DYRK1BCLK1DYRK1ADYRK2
Bromide SCHEMBL1703026 0.82 MAPK10 (0.40) MAPK10DYRK1BCLK1DYRK1ADYRK2
SCHEMBL1703190 0.82 CYP3A4 (0.41) MAPK10DYRK1BCLK1DYRK1ADYRK2
SCHEMBL16508290 0.82 DYRK1B (0.39) MAPK10DYRK1BCLK1DYRK1ADYRK2
SCHEMBL12302420 0.81 DYRK1B (0.38) MAPK10DYRK1BCLK1DYRK1ADYRK2
Bromide SCHEMBL1702490 0.80 DYRK1B (0.38) MAPK10DYRK1BCLK1DYRK1ADYRK2
SCHEMBL1702546 0.79 CRBN (0.41) MAPK10DYRK1BCLK1DYRK1ADYRK2

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 11 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
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
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
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
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 MAPK10 3770/4885DYRK1B 4742/4885CLK1 4047/4885
US-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, ZC3HAV1, IRF3 MAPK10 3489/4885DYRK1B 4541/4885CLK1 3448/4885

“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.