SCHEMBL6316092

SCHEMBL6316092

Nc1onc(-c2ccco2)c1C(=O)NCc1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.60
ADORA1 P30542 6/20 0.60
ADORA3 P0DMS8 4/20 0.60
ADORA2B P29275 4/20 0.60
ALDH1A1 P00352 7/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
MAPK1 P28482 1/20 0.51
NPC1 O15118 3/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 2/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.44
UBE2I P63279 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
SAE1 Q9UBE0 1/20 0.44

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
SCHEMBL6315631 0.90 SMN1; SMN2 (0.50) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6318943 0.88 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6317749 0.88 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6316308 0.87 ALDH1A1 (0.60) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6323008 0.85 CA1 (0.52) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL6317734 0.85 SMN1; SMN2 (0.51) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6315566 0.85 MLYCD (0.47) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6318351 0.84 PTPN22 (0.46) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6316611 0.84 RAB9A (0.48) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6316877 0.82 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2BALDH1A1

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 6 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
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.