SCHEMBL1692304

SCHEMBL1692304

Cc1ccc(-c2nc(C(C)(C)C)nc3cc(-c4ccc(NS(C)(=O)=O)cc4)cnc23)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 2/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
MAP2K4 P45985 1/20 0.39
KIT P10721 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
MAPK10 P53779 6/20 0.39
MET P08581 3/20 0.37
TNIK Q9UKE5 1/20 0.36
KCNH2 Q12809 1/20 0.36
TDP2 O95551 1/20 0.36
PIP4K2A P48426 2/20 0.36
PIP4K2B P78356 2/20 0.36
KDM5B Q9UGL1 1/20 0.35
BRD4 O60885 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
SCHEMBL327502 0.88 MAP2K4 (0.41) DYRK1BCLK1DYRK1ADYRK2MAP2K4
SCHEMBL16143916 0.80 IKBKB (0.41) DYRK1BCLK1DYRK1ADYRK2KIT
SCHEMBL1702278 0.80 IKBKB (0.40) DYRK1BCLK1DYRK1ADYRK2KIT
SCHEMBL327582 0.78 HSD17B1 (0.42) DYRK1BCLK1DYRK1ADYRK2MAP2K4
SCHEMBL1692467 0.77 MET (0.46) DYRK1BCLK1DYRK1ADYRK2MAPK10
SCHEMBL1692212 0.76 CRBN (0.44) DYRK1BCLK1DYRK1ADYRK2MAP2K4
SCHEMBL1702956 0.76 KIT (0.41) DYRK1AMAP2K4KITIKBKBCHUK
SCHEMBL1703190 0.74 CYP3A4 (0.41) DYRK1BCLK1DYRK1ADYRK2KIT
SCHEMBL12302409 0.72 DYRK1A (0.39) DYRK1BCLK1DYRK1ADYRK2MAP2K4
SCHEMBL12302411 0.70 MAPK10 (0.41) DYRK1BCLK1DYRK1ADYRK2KIT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590960-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-11 EP claimed
US-8329712-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-12-11 US claimed
US-20120009144-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2012-01-12 US claimed
EP-2590960-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-11 EP disclosed
WO-2012004212-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 WO 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-20120009144-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, RNASE1 DYRK1B 4859/4885CLK1 3555/4885DYRK1A 4865/4885

“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.