SCHEMBL2450698

SCHEMBL2450698

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 2/20 0.44
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK2 Q92630 1/20 0.44
CYP3A4 P08684 3/20 0.41
CRBN Q96SW2 1/20 0.39
MAPK10 P53779 7/20 0.38
TNIK Q9UKE5 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
MET P08581 1/20 0.35
PTPN11 Q06124 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
SCHEMBL1703190 0.88 CYP3A4 (0.41) DYRK1BCLK1DYRK1ADYRK2CYP3A4
SCHEMBL29461413 0.88 CYP3A4 (0.41) DYRK1BCLK1DYRK1ADYRK2CYP3A4
SCHEMBL1702596 0.88 CYP3A4 (0.41) DYRK1BCLK1DYRK1ADYRK2CYP3A4
SCHEMBL1702892 0.84 DYRK1B (0.46) DYRK1BCLK1DYRK1ADYRK2CYP3A4
SCHEMBL2447980 0.84 CYP3A4 (0.41) DYRK1BCLK1DYRK1ADYRK2CYP3A4
SCHEMBL1703333 0.84 CYP3A4 (0.42) DYRK1BCLK1DYRK1ADYRK2CYP3A4
SCHEMBL1702764 0.83 CYP3A4 (0.57) DYRK1BCLK1DYRK1ADYRK2CYP3A4
SCHEMBL3727490 0.83 CYP3A4 (0.41) DYRK1BCLK1DYRK1ADYRK2CYP3A4
SCHEMBL1702464 0.83 CRBN (0.43) DYRK1BCLK1DYRK1ADYRK2CYP3A4
SCHEMBL1702550 0.83 MAPK10 (0.39) DYRK1BCLK1DYRK1ADYRK2CYP3A4

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 12 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 claimed
US-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 US claimed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 US claimed
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
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 DYRK1B 4742/4885CLK1 4047/4885DYRK1A 4791/4885
US-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, ZC3HAV1, IRF3 DYRK1B 4541/4885CLK1 3448/4885DYRK1A 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.