SCHEMBL3588911

SCHEMBL3588911

COC(=O)c1ccc(CNc2nc(-c3cccs3)cc(-c3ccco3)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
▸ UBE2I P63279 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ APBA1 Q02410 1/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43
▸ POLB P06746 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ USP2 O75604 2/20 0.42
▸ ALOX15 P16050 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
SCHEMBL13545957 0.88 ADORA2A (0.56) ADORA2AADORA1ADORA2BUBE2ISAE1
SCHEMBL14390998 0.87 KMT2A (0.51) ADORA2AADORA1ADORA2BUBE2ICACNA1B
SCHEMBL3599988 0.86 ALDH1A1 (0.43) ADORA2AADORA1ADORA2BSAE1UBA2
SCHEMBL13545961 0.86 ADORA2A (0.60) ADORA2AADORA1ADORA2BPOLBMEN1
SCHEMBL4189757 0.83 ADORA2A (0.57) ADORA2AADORA1ADORA2BPOLBMEN1
SCHEMBL13545958 0.83 ADORA2A (0.58) ADORA2AADORA1ADORA2BPOLBMEN1
SCHEMBL13545984 0.80 KDM4E (0.44) ADORA2AADORA1ADORA2BPOLBMEN1
SCHEMBL13545956 0.79 ADORA2A (0.52) ADORA2AADORA1ADORA2BPOLBMEN1
SCHEMBL3597768 0.78 ADORA2A (0.53) ADORA2AADORA1ADORA2BUBE2ICACNA1B
SCHEMBL3581759 0.78 ADORA2A (0.55) ADORA2AADORA1ADORA2BPOLBMEN1

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-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
EP-2019827-A1 INTEGRASE INHIBITORS 3 Avexa Limited (AU) 2009-02-04 — — EP disclosed
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 — — WO 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.

Send feedback