SCHEMBL1702278

SCHEMBL1702278

Cc1ccc(-c2cc(C(C)(C)C)cc3cc(-c4ccc(NS(C)(=O)=O)cc4)cnc23)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
DYRK1B Q9Y463 2/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
PIP4K2A P48426 5/20 0.39
PIP4K2B P78356 5/20 0.39
KIT P10721 1/20 0.38
MAPK10 P53779 6/20 0.38
TDP2 O95551 1/20 0.37
MET P08581 3/20 0.36
KIF11 P52732 1/20 0.36
PIP4K2C Q8TBX8 1/20 0.35
KCNH2 Q12809 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
SCHEMBL12302429 0.88 DYRK1B (0.38) IKBKBCHUKDYRK1BCLK1DYRK1A
SCHEMBL1702695 0.88 ALDH1A1 (0.37) IKBKBCHUKKITMETKCNH2
SCHEMBL16143916 0.88 IKBKB (0.41) IKBKBCHUKDYRK1BCLK1DYRK1A
SCHEMBL1702543 0.86 MET (0.41) IKBKBCHUKDYRK1BDYRK1AKIT
SCHEMBL2447802 0.81 DYRK1B (0.42) DYRK1BCLK1DYRK1ADYRK2PIP4K2A
SCHEMBL1692304 0.80 DYRK1B (0.40) IKBKBCHUKDYRK1BCLK1DYRK1A
SCHEMBL1703190 0.79 CYP3A4 (0.41) IKBKBCHUKDYRK1BCLK1DYRK1A
SCHEMBL1702290 0.78
SCHEMBL12302411 0.75 MAPK10 (0.41) IKBKBCHUKDYRK1BCLK1DYRK1A
SCHEMBL1702498 0.75 CRBN (0.47) DYRK1BCLK1DYRK1ADYRK2PIP4K2A

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 6 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 IKBKB 922/4885CHUK 368/4885DYRK1B 4742/4885

“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.