SCHEMBL6316308

SCHEMBL6316308

Nc1onc(-c2ccco2)c1C(=O)NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 2/20 0.60
ADORA2A P29274 6/20 0.55
ADORA1 P30542 6/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ADORA3 P0DMS8 3/20 0.55
ADORA2B P29275 3/20 0.55
PTPN7 P35236 2/20 0.55
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
HPGD P15428 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
MCL1 Q07820 1/20 0.55
GAA P10253 1/20 0.52

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
SCHEMBL6316877 0.90 ADORA2A (0.57) ALDH1A1SMN1; SMN2NPC1RAB9AADORA2A
SCHEMBL6317235 0.88 RAB9A (0.61) ALDH1A1SMN1; SMN2NPC1RAB9AADORA2A
SCHEMBL6315718 0.87 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2RAB9AADORA2AADORA1
SCHEMBL6316092 0.87 ADORA2A (0.60) ALDH1A1SMN1; SMN2NPC1RAB9AADORA2A
SCHEMBL6318943 0.87 ADORA2A (0.60) ALDH1A1SMN1; SMN2NPC1RAB9AADORA2A
SCHEMBL6317749 0.87 ADORA2A (0.60) ALDH1A1SMN1; SMN2NPC1RAB9AADORA2A
SCHEMBL6314600 0.87 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AADORA2A
SCHEMBL6316732 0.87 RAB9A (0.59) ALDH1A1SMN1; SMN2NPC1RAB9AADORA2A
SCHEMBL6319298 0.86 TSHR (0.56) ALDH1A1SMN1; SMN2NPC1RAB9AADORA2A
SCHEMBL6323979 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AADORA2A

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 ALDH1A1 4444/4885SMN1; SMN2 2766/4885NPC1 3741/4885

“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.