SCHEMBL1357997

SCHEMBL1357997

CC(C)(C)c1cc(-c2ccc[nH]c2=O)cc2c(CC#N)coc12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
METAP2 P50579 1/20 0.31
CYP1A1 P04798 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL1359578 0.87 CYP3A4 (0.41) CYP3A4METAP2CYP1A1
SCHEMBL1359884 0.81 CYP3A4 (0.35) CYP3A4MCL1
SCHEMBL1358251 0.80 CYP3A4 (0.38) CYP3A4CYP1A1
SCHEMBL1360035 0.80 BRD4 (0.40) CYP3A4
SCHEMBL12138494 0.79 CYP3A4 (0.41) CYP3A4CYP1A1
SCHEMBL1360340 0.78 NAPRT (0.40) CYP3A4CYP1A1
SCHEMBL1359880 0.77 CYP3A4 (0.36) CYP3A4CYP1A1
SCHEMBL1358345 0.77 CYP3A4 (0.41) CYP3A4METAP2
SCHEMBL1359292 0.77 CYP3A4 (0.38) CYP3A4CYP1A1
SCHEMBL1360734 0.76 MAOB (0.40) CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067442-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-11-29 US claimed
EP-2334662-A1 PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV F. Hoffmann-La Roche AG (CH) 2011-06-22 EP claimed
US-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-04-01 US claimed
WO-2010034671-A1 PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO claimed
US-8067442-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-11-29 US disclosed
EP-2334662-A1 PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV F. Hoffmann-La Roche AG (CH) 2011-06-22 EP 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-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, POLR2A, HCCS CYP3A4 713/4885METAP2 2470/4885CYP1A1 426/4885

“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.