SCHEMBL1702496

SCHEMBL1702496

CC(C)(C)c1cc(N2CCC(=O)NC2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 8/20 0.40
PIP4K2B P78356 7/20 0.40
TNIK Q9UKE5 1/20 0.38
TDP2 O95551 1/20 0.37
MAPK10 P53779 3/20 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
MET P08581 3/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
RIPK2 O43353 1/20 0.34
ACVR1 Q04771 1/20 0.34
NOD2 Q9HC29 1/20 0.34
KIF11 P52732 1/20 0.34
KCNH2 Q12809 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
SCHEMBL13049194 0.91 DDB1 (0.32) PIP4K2APIP4K2BTNIKRIPK2ACVR1
SCHEMBL2454290 0.80 TNIK (0.39) PIP4K2APIP4K2BTNIKMAPK10DYRK1B
SCHEMBL1702498 0.78 CRBN (0.47) PIP4K2APIP4K2BMAPK10DYRK1BCLK1
SCHEMBL1702806 0.76 MAPK10 (0.41) PIP4K2APIP4K2BTNIKMAPK10DYRK1B
SCHEMBL1702551 0.75 TNIK (0.38) PIP4K2APIP4K2BTNIKMAPK10DYRK1B
SCHEMBL2447802 0.72 DYRK1B (0.42) PIP4K2APIP4K2BTNIKMAPK10DYRK1B
SCHEMBL1530884 0.72 DDB1 (0.39)
SCHEMBL1702278 0.72 IKBKB (0.40) PIP4K2APIP4K2BTDP2MAPK10DYRK1B
SCHEMBL1530139 0.71 TRPV1 (0.42) PIP4K2APIP4K2BTDP2
SCHEMBL1530141 0.71 TRPV1 (0.42) PIP4K2APIP4K2BTDP2

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 14 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
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-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-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
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 PIP4K2A 2111/4885PIP4K2B 1750/4885TNIK 3946/4885
US-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, ZC3HAV1, IRF3 PIP4K2A 2698/4885PIP4K2B 2468/4885TNIK 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.