SCHEMBL1702550

SCHEMBL1702550

[2H]C([2H])([2H])C(c1cc(-c2ccc(OC)[nH]c2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc2c1OC)(C([2H])([2H])[2H])C([2H])([2H])[2H]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 11/20 0.39
DYRK1B Q9Y463 2/20 0.39
DYRK1A Q13627 2/20 0.39
CLK1 P49759 1/20 0.39
DYRK2 Q92630 1/20 0.39
CYP3A4 P08684 3/20 0.37
CRBN Q96SW2 1/20 0.36
PIP4K2A P48426 1/20 0.35
PIP4K2B P78356 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
PTPN11 Q06124 1/20 0.35
CDC7 O00311 1/20 0.35
PLK4 O00444 1/20 0.35
DAPK3 O43293 1/20 0.35
DYRK3 O43781 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
CDK1 P06493 1/20 0.35

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
SCHEMBL29461413 0.94 CYP3A4 (0.41) MAPK10DYRK1BDYRK1ACLK1DYRK2
SCHEMBL1702596 0.94 CYP3A4 (0.41) MAPK10DYRK1BDYRK1ACLK1DYRK2
SCHEMBL1702767 0.90 MAPK10 (0.41) MAPK10DYRK1BDYRK1ACLK1DYRK2
SCHEMBL2450318 0.87 CYP3A4 (0.51) MAPK10DYRK1BDYRK1ACLK1DYRK2
SCHEMBL16152428 0.86 DYRK1B (0.42) MAPK10DYRK1BDYRK1ACLK1DYRK2
SCHEMBL1703190 0.86 CYP3A4 (0.41) MAPK10DYRK1BDYRK1ACLK1DYRK2
SCHEMBL1702657 0.83 DYRK1B (0.38) MAPK10DYRK1BDYRK1ACLK1DYRK2
SCHEMBL2450698 0.83 DYRK1B (0.44) MAPK10DYRK1BDYRK1ACLK1DYRK2
SCHEMBL2446596 0.83 CYP3A4 (0.33) DYRK1BDYRK1ACLK1DYRK2CYP3A4
SCHEMBL12302411 0.82 MAPK10 (0.41) MAPK10DYRK1BDYRK1ACLK1DYRK2

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 9 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
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
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 4742/4885DYRK1A 4791/4885
US-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, ZC3HAV1, IRF3 MAPK10 3489/4885DYRK1B 4541/4885DYRK1A 4516/4885

“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.