SCHEMBL3717432

SCHEMBL3717432

COc1ccc(-c2cc(C(C)(C)C)c(OC)c3cc(-c4ccc(N)cc4)cnc23)c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.38
KIT P10721 2/20 0.37
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
MAP3K11 Q16584 2/20 0.32
LRRK2 Q5S007 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
NTRK1 P04629 1/20 0.31
TGFBR1 P36897 2/20 0.31
PIK3CA P42336 1/20 0.31
CHEK2 O96017 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
SCHEMBL3717429 0.89 FYN (0.43) FYNMAP3K11CHEK2MAP4K4
SCHEMBL1702596 0.86 CYP3A4 (0.41) FYNCLK1DYRK1ADYRK2DYRK1B
SCHEMBL15321772 0.84 MAP3K11 (0.32) MAP3K11
SCHEMBL2446596 0.81 CYP3A4 (0.33) CLK1DYRK1ADYRK2DYRK1B
SCHEMBL1702352 0.79 CYP3A4 (0.32) CLK1DYRK1ADYRK2DYRK1B
SCHEMBL1702767 0.78 MAPK10 (0.41) CLK1DYRK1ADYRK2DYRK1B
SCHEMBL1703190 0.77 CYP3A4 (0.41) KITCLK1DYRK1ADYRK2DYRK1B
SCHEMBL2447905 0.76 MAP3K11 (0.41) KITALOX5APFEN1MAP3K11LRRK2
SCHEMBL16152430 0.74 ALDH1A1 (0.33) ALOX5APFEN1
SCHEMBL1703333 0.73 CYP3A4 (0.42) CLK1DYRK1ADYRK2DYRK1BPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP claimed
WO-2010142656-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO claimed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 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-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, XDH, GTF3C4 FYN 3846/4885KIT 3567/4885ALOX5AP 3898/4885

“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.