SCHEMBL1542564

SCHEMBL1542564

COc1c(NC(=O)c2ccc(N)cc2C(F)(F)F)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
CD274 Q9NZQ7 1/20 0.39
WDR5 P61964 3/20 0.37
JAK2 O60674 1/20 0.36
CRBN Q96SW2 1/20 0.36
ABL1 P00519 1/20 0.36
CFTR P13569 1/20 0.35
PTGS1 P23219 1/20 0.35
SCN8A Q9UQD0 2/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
BTK Q06187 2/20 0.34
TMPRSS4 Q9NRS4 1/20 0.34
IDO1 P14902 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL1542476 0.90 CYP3A4 (0.44) CYP3A4CD274ABL1CFTRSCN8A
SCHEMBL2127468 0.89 CYP3A4 (0.44) CYP3A4CD274JAK2
SCHEMBL2128872 0.86 CYP3A4 (0.57) CYP3A4CD274JAK2CRBNABL1
SCHEMBL1542748 0.86 CYP3A4 (0.47) CYP3A4CD274ABL1BTK
SCHEMBL1543054 0.82 CYP3A4 (0.44) CYP3A4CD274ABL1CFTRSCN8A
SCHEMBL1542928 0.82 CYP3A4 (0.44) CYP3A4CD274JAK2ABL1BTK
SCHEMBL1542657 0.81 CYP3A4 (0.49) CYP3A4ABL1BTK
SCHEMBL1543460 0.80 CYP3A4 (0.44) CYP3A4CD274ABL1BTK
SCHEMBL1542627 0.79 CYP3A4 (0.44) CYP3A4CD274ABL1BTK
SCHEMBL2127612 0.78 CYP3A4 (0.58) CYP3A4CD274CRBNABL1CFTR

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
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US claimed
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

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 528/4885CD274 3357/4885WDR5 1560/4885

“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.