SCHEMBL1692467

SCHEMBL1692467

CC(C)(C)c1nc(Cl)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.46
MAPK10 P53779 9/20 0.46
KIF11 P52732 1/20 0.45
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
DYRK1B Q9Y463 2/20 0.40
KCNH2 Q12809 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
PIP4K2A P48426 3/20 0.40
PIP4K2B P78356 3/20 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
SCHEMBL1692212 0.77 CRBN (0.44) METMAPK10DYRK1BKCNH2CLK1
SCHEMBL1692304 0.77 DYRK1B (0.40) METMAPK10DYRK1BKCNH2CLK1
SCHEMBL1702652 0.68 HPGD (0.47) MAPK10KIF11DYRK1BCLK1DYRK1A
SCHEMBL327502 0.67 MAP2K4 (0.41) DYRK1BCLK1DYRK1ADYRK2PIP4K2A
SCHEMBL327582 0.66 HSD17B1 (0.42) MAPK10KIF11DYRK1BCLK1DYRK1A
SCHEMBL1692414 0.66 SCN9A (0.38) KIF11PIK3CDDYRK1APIP4K2APIP4K2B
SCHEMBL31041151 0.66 KIF11 (0.79) KIF11DYRK1A
SCHEMBL27934253 0.66 MAP4K4 (0.53) MAPK10KIF11PIK3CBDYRK1BCLK1
SCHEMBL3765367 0.65 MAPK10 (0.44) METMAPK10KIF11DYRK1BCLK1
SCHEMBL3662656 0.65 PIK3CG (0.77) PIK3CDPIK3CAPIK3CBPIK3CG

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 3 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 disclosed
US-8329712-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-12-11 US 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 MET 2762/4885MAPK10 3408/4885KIF11 4625/4885

“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.