SCHEMBL1702806

SCHEMBL1702806

COc1c(C(F)(F)F)cc(N2CCC(=O)NC2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.41
MTOR P42345 2/20 0.40
TNIK Q9UKE5 1/20 0.38
KIF11 P52732 2/20 0.38
RIPK2 O43353 2/20 0.36
ACVR1 Q04771 2/20 0.36
NOD2 Q9HC29 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
PIP4K2A P48426 3/20 0.36
PIP4K2B P78356 3/20 0.36
PTGS2 P35354 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
SCHEMBL2454290 0.93 TNIK (0.39) MAPK10TNIKRIPK2ACVR1NOD2
SCHEMBL1702551 0.88 TNIK (0.38) MAPK10MTORTNIKRIPK2ACVR1
SCHEMBL1702807 0.80 CRBN (0.47) MAPK10MTORKIF11DYRK1BCLK1
SCHEMBL1702725 0.80 RIPK2 (0.39) MAPK10MTORTNIKRIPK2ACVR1
SCHEMBL1702454 0.79 KIF11 (0.47) MAPK10KIF11ACVR1DYRK1BCLK1
SCHEMBL1702496 0.76 PIP4K2A (0.40) MAPK10TNIKKIF11RIPK2ACVR1
SCHEMBL12302411 0.74 MAPK10 (0.41) MAPK10KIF11DYRK1BCLK1DYRK1A
SCHEMBL1702767 0.74 MAPK10 (0.41) MAPK10MTORKIF11DYRK1BCLK1
Bromide SCHEMBL1703026 0.74 MAPK10 (0.40) MAPK10KIF11DYRK1BCLK1DYRK1A
SCHEMBL1702726 0.73 CRBN (0.39) MAPK10TNIKRIPK2ACVR1NOD2

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 15 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
EP-2440528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP claimed
US-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 US claimed
WO-2010142656-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO 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
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 MAPK10 3770/4885MTOR 1348/4885TNIK 3946/4885
US-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, ZC3HAV1, IRF3 MAPK10 3489/4885MTOR 1352/4885TNIK 3560/4885

“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.