SCHEMBL1542693

SCHEMBL1542693

COc1ncccc1-c1cc(C#Cc2ccc(N)cn2)c(OC)c(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.37
FEN1 P39748 3/20 0.37
GRM5 P41594 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
DHFR P00374 1/20 0.33
ALK Q9UM73 1/20 0.33
FYN P06241 2/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
SQOR Q9Y6N5 2/20 0.32
FFAR4 Q5NUL3 1/20 0.31
ABL1 P00519 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
DHODH Q02127 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
SCHEMBL1542276 0.77 ALOX5AP (0.43) ALOX5APFEN1LOXL2DHFRALK
SCHEMBL1542821 0.77 CYP3A4 (0.38) ALOX5APFEN1LOXL2DHFRALK
SCHEMBL1542227 0.73 CYP3A4 (0.47) ALOX5APFEN1LOXL2DHFRPTGES2
SCHEMBL1542893 0.70 ERN1 (0.42) ALOX5APFEN1LOXL2PTGES2FFAR4
SCHEMBL1542554 0.70 SCN5A (0.45) ABL1
SCHEMBL1542605 0.69 ALOX5AP (0.37) ALOX5APFEN1LOXL2DHFRALK
SCHEMBL2142466 0.69 GPBAR1 (0.45) FFAR4ABL1DHODH
SCHEMBL1542242 0.69 FFAR4 (0.39) ALOX5APFEN1DHFRPTGES2FFAR4
SCHEMBL2128560 0.69 CYP3A4 (0.43) ALOX5APFEN1LOXL2DHFRPTGES2
SCHEMBL2128556 0.69 CYP3A4 (0.43) ALOX5APFEN1LOXL2DHFRPTGES2

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 ALOX5AP 3584/4885FEN1 2337/4885GRM5 4376/4885

“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.