SCHEMBL1702546

SCHEMBL1702546

COc1c(C2(C(F)F)CC2)cc(-n2ccc(=O)[nH]c2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
PTPN11 Q06124 1/20 0.36
MAPK10 P53779 9/20 0.36
DYRK1B Q9Y463 2/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
PIP4K2A P48426 6/20 0.35
PIP4K2B P78356 5/20 0.35
TNIK Q9UKE5 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
SCHEMBL1702807 0.83 CRBN (0.47) CRBNPTPN11MAPK10DYRK1BCLK1
SCHEMBL1702739 0.82 CRBN (0.55) CRBNPTPN11MAPK10DYRK1BCLK1
SCHEMBL1702516 0.81 CRBN (0.43) CRBNPTPN11MAPK10DYRK1BCLK1
SCHEMBL1702303 0.79 MAPK10 (0.37) PTPN11MAPK10DYRK1BCLK1DYRK1A
SCHEMBL12302386 0.79 MAPK10 (0.37) PTPN11MAPK10DYRK1BCLK1DYRK1A
SCHEMBL1702498 0.71 CRBN (0.47) CRBNMAPK10DYRK1BCLK1DYRK1A
SCHEMBL12302380 0.69 CRBN (0.59) CRBNDYRK1APIP4K2APIP4K2B
SCHEMBL1702806 0.68 MAPK10 (0.41) MAPK10DYRK1BCLK1DYRK1ADYRK2
SCHEMBL2454290 0.67 TNIK (0.39) CRBNMAPK10DYRK1BCLK1DYRK1A
SCHEMBL12302375 0.67 MAPK10 (0.37) PTPN11MAPK10DYRK1BCLK1DYRK1A

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 CRBN 2036/4885PTPN11 1476/4885MAPK10 3770/4885
US-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, ZC3HAV1, IRF3 CRBN 3048/4885PTPN11 1822/4885MAPK10 3489/4885

“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.