SCHEMBL6318165

SCHEMBL6318165

Nc1onc(-c2ccco2)c1C(=O)NCc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.45
ADORA1 P30542 9/20 0.45
ADORA3 P0DMS8 5/20 0.44
ADORA2B P29275 5/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA2 P00918 1/20 0.43
HPGD P15428 2/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
PTPN7 P35236 1/20 0.42
RECQL P46063 1/20 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
SCHEMBL6317475 0.85 ALDH1A1 (0.48) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6317631 0.85 ADORA2A (0.58) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6318531 0.85 ADORA2A (0.59) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6315049 0.85 ADORA2A (0.59) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6316308 0.85 ALDH1A1 (0.60) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6317529 0.84 CA2 (0.50) ADORA2AADORA1NPC1CA2CHRNB2
SCHEMBL6317242 0.84 ADORA2A (0.45) ADORA2AADORA1ADORA3ADORA2BCA2
SCHEMBL6316303 0.82 ADORA2A (0.61) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6322234 0.82 SCD5 (0.46) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6315709 0.82 CHRNB2 (0.43) ADORA2AADORA1NPC1SMN1; SMN2CA2

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.