SCHEMBL1542590

SCHEMBL1542590

COc1c(NC(=O)c2ccc(NC3CC3)nc2)cc(-c2cccnc2OCc2ccccc2)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LYN P07948 1/20 0.46
MAPK9 P45984 1/20 0.46
CNR2 P34972 4/20 0.42
CNR1 P21554 4/20 0.42
HDAC1 Q13547 2/20 0.38
GCK P35557 2/20 0.38
CXCR2 P25025 1/20 0.37
RAF1 P04049 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
RORC P51449 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL1542459 0.88 HCAR3 (0.42) LYNMAPK9CNR2CNR1HDAC1
SCHEMBL1542613 0.81 SCN5A (0.40) HDAC1RAF1SCN5ASCN9ARORC
SCHEMBL1542573 0.81 SCN5A (0.40) HDAC1RAF1SCN5ASCN9ARORC
SCHEMBL1542950 0.80 LYN (0.51) LYNMAPK9HDAC1PRKAB2PRKAG1
SCHEMBL2137707 0.79 MAPT (0.43) SCN5ASCN9ARORCSMN1; SMN2
SCHEMBL1543199 0.79 SCN5A (0.40) RAF1SCN5ASCN9ARORCSMN1; SMN2
SCHEMBL1542902 0.79 RORC (0.38) CNR2CNR1SCN5ASCN9ARORC
SCHEMBL12678915 0.78 SCN5A (0.41) LYNMAPK9HDAC1SCN5ASCN9A
SCHEMBL1542562 0.77 SCN5A (0.35) CNR2CNR1RAF1SCN5ASCN9A
SCHEMBL1542337 0.74 NOX1 (0.49) SCN5ASCN9ASMN1; SMN2

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 disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP 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

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 LYN 2314/4885MAPK9 1261/4885CNR2 1996/4885

“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.