SCHEMBL2446449

SCHEMBL2446449

COc1c(C(C)(C)C)cc(-n2c(C)n[nH]c2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 2/20 0.41
CRBN Q96SW2 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
DYRK1A Q13627 2/20 0.38
CLK1 P49759 1/20 0.38
DYRK2 Q92630 1/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
ROS1 P08922 1/20 0.38
CDK2 P24941 1/20 0.38
MARK3 P27448 1/20 0.38

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
SCHEMBL1702739 0.83 CRBN (0.55) DYRK1BCRBNDYRK1ACLK1DYRK2
SCHEMBL1702726 0.80 CRBN (0.39) DYRK1BCRBNDYRK1ACLK1DYRK2
SCHEMBL1702725 0.80 RIPK2 (0.39) DYRK1BCRBNDYRK1ACLK1DYRK2
SCHEMBL2454290 0.80 TNIK (0.39) DYRK1BCRBNDYRK1ACLK1DYRK2
SCHEMBL3765367 0.79 MAPK10 (0.44) DYRK1BCRBNDYRK1ACLK1DYRK2
SCHEMBL1703190 0.79 CYP3A4 (0.41) DYRK1BCRBNDYRK1ACLK1DYRK2
SCHEMBL1702464 0.78 CRBN (0.43) DYRK1BCRBNDYRK1ACLK1DYRK2
SCHEMBL1702892 0.78 DYRK1B (0.46) DYRK1BCRBNDYRK1ACLK1DYRK2
SCHEMBL2447980 0.77 CYP3A4 (0.41) DYRK1BCRBNDYRK1ACLK1DYRK2
SCHEMBL3727490 0.77 CYP3A4 (0.41) DYRK1BCRBNDYRK1ACLK1DYRK2

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-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP claimed
US-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 US claimed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 US claimed

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 DYRK1B 4742/4885CRBN 2036/4885KDM4E 1276/4885

“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.