SCHEMBL3597768

SCHEMBL3597768

COC(=O)c1ccc(COc2nc(-c3ccco3)cc(-c3cccs3)c2C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.53
▸ ADORA1 P30542 5/20 0.53
▸ ADORA2B P29275 3/20 0.53
▸ KDM4E B2RXH2 9/20 0.50
▸ MAPT P10636 5/20 0.50
▸ POLB P06746 4/20 0.50
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 6/20 0.45
▸ USP2 O75604 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ ATM Q13315 2/20 0.44
▸ NPSR1 Q6W5P4 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ PPARG P37231 2/20 0.42
▸ NCOA2 Q15596 2/20 0.42
▸ NCOA1 Q15788 2/20 0.42

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
SCHEMBL3590688 0.91 ADORA2A (0.56) ADORA2AADORA1ADORA2BKDM4EMAPT
SCHEMBL14390890 0.87 PTGS1 (0.45) ADORA2AADORA1ADORA2BKDM4EMAPT
SCHEMBL3591628 0.84 ADORA2A (0.56) ADORA2AADORA1ADORA2BKDM4EMAPT
SCHEMBL3592516 0.83 ALDH1A1 (0.46) ADORA2AADORA1ADORA2BKDM4EMAPT
SCHEMBL29442316 0.83 KDM4E (0.50) ADORA2AADORA1ADORA2BKDM4EMAPT
SCHEMBL3588813 0.83 KDM4E (0.50) ADORA2AADORA1ADORA2BKDM4EMAPT
SCHEMBL3582806 0.83 TSHR (0.43) ADORA2AADORA1ADORA2BKDM4EMAPT
SCHEMBL3594349 0.83 KDM4E (0.49) ADORA2AADORA1ADORA2BKDM4EMAPT
SCHEMBL3594101 0.82 MEN1 (0.45) ADORA2AADORA1ADORA2BMAPTPOLB
SCHEMBL3595971 0.82 ADORA2A (0.49) ADORA2AADORA1ADORA2BKDM4EMAPT

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
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 ADORA2A 3605/4885ADORA1 2470/4885ADORA2B 3500/4885

“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.

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