SCHEMBL6317993

SCHEMBL6317993

CCCC(=O)Nc1onc(-c2ccsc2)c1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.51
ADORA2A P29274 3/20 0.51
KIT P10721 2/20 0.47
FLT1 P17948 2/20 0.47
KDR P35968 2/20 0.47
CYP1A2 P05177 1/20 0.45
GSK3B P49841 1/20 0.45
RET P07949 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2B P29275 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRA P18433 1/20 0.38

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
SCHEMBL6315238 0.93 ADORA1 (0.44) ADORA1ADORA2AKITFLT1KDR
SCHEMBL6324270 0.89 ADORA1 (0.52) ADORA1ADORA2AKITFLT1KDR
Butyramide SCHEMBL27591450 0.89 ADORA1 (0.47) ADORA1ADORA2AKITFLT1KDR
SCHEMBL6315833 0.85 KIT (0.48) ADORA1ADORA2AKITFLT1KDR
SCHEMBL6316117 0.85 CSNK1D (0.40) ADORA1ADORA2AKITFLT1KDR
SCHEMBL6318306 0.85 RET (0.44) ADORA1ADORA2ARETHSP90AA1MEN1
SCHEMBL6318012 0.84 MAPK14 (0.51) CYP1A2MEN1KMT2AALDH1A1POLB
SCHEMBL6316033 0.84 MAPK14 (0.47) ADORA1ADORA2AGSK3BHSP90AA1MEN1
SCHEMBL6316801 0.84 ADORA1 (0.47) ADORA1ADORA2AKITFLT1KDR
SCHEMBL6318201 0.83 RET (0.40) ADORA1ADORA2AKITFLT1KDR

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 ADORA1 1592/4885ADORA2A 1101/4885KIT 4264/4885

“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.