SCHEMBL1359987

SCHEMBL1359987

CC(C)(C)c1cc(-c2ccc[nH]c2=O)cc2c(C(=O)N3CCCC(CN)C3)coc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.36
GAA P10253 1/20 0.36
TLR8 Q9NR97 4/20 0.35
TLR7 Q9NYK1 4/20 0.35
TLR9 Q9NR96 3/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
KDM1A O60341 4/20 0.33
AKR1C3 P42330 1/20 0.32
CYP3A4 P08684 2/20 0.31
MAPT P10636 1/20 0.31
FLT3 P36888 1/20 0.31
PARP1 P09874 1/20 0.31
SCN9A Q15858 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3144840 0.95 CHEK1 (0.37) CHEK1GAATLR8TLR7TLR9
SCHEMBL1360466 0.95 CHEK1 (0.37) CHEK1GAATLR8TLR7TLR9
SCHEMBL1358340 0.93 GAA (0.38) GAAAKR1C3CYP3A4MAPTPARP1
SCHEMBL12138497 0.93 GAA (0.36) CHEK1GAAAKR1C3CYP3A4MAPT
SCHEMBL1357909 0.90 KDM1A (0.39) CHEK1GAATLR8TLR7TLR9
SCHEMBL1357912 0.90 KDM1A (0.39) CHEK1GAATLR8TLR7TLR9
SCHEMBL1359812 0.90 KDM1A (0.39) CHEK1GAATLR8TLR7TLR9
SCHEMBL1359264 0.89 CYP3A4 (0.34) GAAAKR1C3CYP3A4MAPTALDH1A1
SCHEMBL1359797 0.89 CHEK1 (0.38) CHEK1GAACYP3A4
SCHEMBL1359379 0.88 RAB9A (0.39) GAAPARP1ALDH1A1

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 2 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
US-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-04-01 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-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, POLR2A, HCCS CHEK1 1363/4885GAA 2017/4885TLR8 3882/4885

“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.