SCHEMBL1542492

SCHEMBL1542492

CCOc1nc(-c2cc(-c3ccc[nH]c3=O)cc(C(C)(C)C)c2OC)cc2ccc(NS(C)(=O)=O)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.57
CRBN Q96SW2 1/20 0.40
MET P08581 4/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
BRD4 O60885 1/20 0.34
EP300 Q09472 1/20 0.34
FYN P06241 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
SGK1 O00141 3/20 0.33
DHFR P00374 1/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
PIK3CA P42336 1/20 0.31

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
SCHEMBL3405437 0.82 CYP3A4 (0.61) CYP3A4CRBNMETBRD4EP300
SCHEMBL482606 0.80 CYP3A4 (0.65) CYP3A4CRBNBRD4EP300FYN
SCHEMBL3406008 0.80 CYP3A4 (0.59) CYP3A4CRBNMETBRD4EP300
SCHEMBL846776 0.79 CYP3A4 (0.61) CYP3A4CRBNMETBRD4FYN
SCHEMBL847054 0.76 CYP3A4 (0.59) CYP3A4CRBNFYNTGFBR1ACVR1
SCHEMBL1542495 0.75 CYP3A4 (0.77) CYP3A4CRBNBRD4EP300FYN
SCHEMBL1542597 0.74 CYP3A4 (0.57) CYP3A4CRBN
SCHEMBL1542988 0.73 CYP3A4 (0.81) CYP3A4CRBNBRD4EP300
SCHEMBL1542813 0.73 CYP3A4 (0.77) CYP3A4CRBNBRD4EP300FYN
SCHEMBL1542581 0.73 CYP3A4 (1.00) CYP3A4CRBNBRD4EP300

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-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP claimed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US claimed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B CYP3A4 528/4885CRBN 1397/4885MET 2189/4885

“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.