SCHEMBL6316303

SCHEMBL6316303

COc1ccccc1CNC(=O)c1c(-c2ccco2)noc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.61
ADORA1 P30542 3/20 0.61
ADORA3 P0DMS8 1/20 0.60
ADORA2B P29275 1/20 0.60
NPC1 O15118 2/20 0.54
UBE2I P63279 3/20 0.54
CACNA1B Q00975 3/20 0.54
APBA1 Q02410 3/20 0.54
SAE1 Q9UBE0 3/20 0.54
UBA2 Q9UBT2 3/20 0.54
ALDH1A1 P00352 6/20 0.50
HPGD P15428 6/20 0.50
KDM4E B2RXH2 3/20 0.50
RCE1 Q9Y256 1/20 0.50
HSD17B10 Q99714 2/20 0.46
HDAC1 Q13547 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 3/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL6322403 0.88 TAS1R3 (0.51) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL6315049 0.86 ADORA2A (0.59) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6317388 0.85 ADORA2A (0.61) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL6318531 0.84 ADORA2A (0.59) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL6317631 0.84 ADORA2A (0.58) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL6317475 0.84 ALDH1A1 (0.48) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL6315245 0.84 NPC1 (0.57) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL6315869 0.84 ALDH1A1 (0.55) ADORA2AADORA1ADORA3ADORA2BUBE2I
SCHEMBL6318165 0.82 ADORA2A (0.45) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL6315718 0.82 ALDH1A1 (0.64) ADORA2AADORA1ADORA3ADORA2BUBE2I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 ADORA2A 1101/4885ADORA1 1592/4885ADORA3 1471/4885

“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.