SCHEMBL1542364

SCHEMBL1542364

COc1ncccc1-c1cc(C(C)(C)C)cc(Br)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.43
ALOX5AP P20292 2/20 0.38
FEN1 P39748 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
GABRA1 P14867 1/20 0.35
NSD2 O96028 1/20 0.35
CASP6 P55212 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PIK3CA P42336 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DHFR P00374 1/20 0.34

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
SCHEMBL1542640 0.76 LOXL2 (0.40) BTKALOX5APFEN1PTGES2CA1
SCHEMBL6371463 0.72 CYP1A2 (0.41) BTKLOXL2GPBAR1GABRA1NPC1
SCHEMBL2129553 0.71 ERN1 (0.45) BTKGPBAR1GABRA1
SCHEMBL15394636 0.71 KIF11 (0.53) BTKALOX5APFEN1PTGES2LOXL2
SCHEMBL1542575 0.70 CYP19A1 (0.38) ALOX5APFEN1HRH4LOXL2CHRNA7
SCHEMBL6445515 0.70 BTK (0.38) BTKGPBAR1GABRA1NPC1RAB9A
SCHEMBL12302479 0.69 NSD2 (0.41) BTKALOX5APFEN1HRH4PTGES2
SCHEMBL2127636 0.69 BTK (0.38) BTKHRH4CA1CA2GPBAR1
SCHEMBL1542675 0.67 POLB (0.54) CA1CA2GABRA1NPC1RAB9A
SCHEMBL31688147 0.67 GAA (0.43) GABRA1

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 BTK 2299/4885ALOX5AP 3584/4885FEN1 2337/4885

“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.