SCHEMBL327502

SCHEMBL327502

Cc1ccc(-c2nc(C(C)(C)C)nc3cc(-c4ccc(NS(C)(=O)=O)cc4)ccc23)c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.41
KIT P10721 1/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
DYRK1A Q13627 2/20 0.40
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK1 P06493 1/20 0.40
ROS1 P08922 1/20 0.40
CDK2 P24941 1/20 0.40
MARK3 P27448 1/20 0.40
TYK2 P29597 1/20 0.40
KDR P35968 1/20 0.40
CLK2 P49760 1/20 0.40

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
SCHEMBL327582 0.90 HSD17B1 (0.42) MAP2K4KITIKBKBCHUKDYRK1A
SCHEMBL1692304 0.88 DYRK1B (0.40) MAP2K4KITIKBKBCHUKDYRK1A
SCHEMBL1702956 0.83 KIT (0.41) MAP2K4KITIKBKBCHUKDYRK1A
SCHEMBL12302409 0.80 DYRK1A (0.39) MAP2K4KITIKBKBCHUKDYRK1A
SCHEMBL1692414 0.78 SCN9A (0.38) MAP2K4KITDYRK1ACDC7PLK4
SCHEMBL16143916 0.71 IKBKB (0.41) KITIKBKBCHUKDYRK1ATDP2
SCHEMBL1702278 0.70 IKBKB (0.40) KITIKBKBCHUKDYRK1ATDP2
SCHEMBL15168607 0.69 CRBN (0.42) KITIKBKBCHUKJAK2TYK2
SCHEMBL1346276 0.68 CYP3A4 (0.48) KITIKBKBCHUKTDP2PIP4K2A
SCHEMBL1346280 0.68 CYP3A4 (0.48) KITIKBKBCHUKTDP2PIP4K2A

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 10 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
EP-2590960-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-15 EP claimed
US-8329712-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-12-11 US claimed
WO-2012004212-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 WO 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
EP-2590960-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-11 EP disclosed
US-8329712-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
WO-2012004212-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 WO disclosed
US-20120009144-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2012-01-12 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 (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 MAP2K4 4693/4885KIT 3431/4885IKBKB 668/4885

“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.