SCHEMBL6318306

SCHEMBL6318306

CC(C)CC(=O)Nc1onc(-c2ccsc2)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.44
HSP90AA1 P07900 1/20 0.41
PTPN1 P18031 2/20 0.38
ADORA1 P30542 7/20 0.37
ADORA2A P29274 6/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2B P29275 2/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GFER P55789 1/20 0.36
IKBKB O14920 1/20 0.35
BACE1 P56817 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL6317993 0.85 ADORA1 (0.51) RETHSP90AA1PTPN1ADORA1ADORA2A
SCHEMBL6317738 0.85 KDM4E (0.44) HSP90AA1PTPN1ADORA1ADORA2AMEN1
SCHEMBL6316117 0.84 CSNK1D (0.40) RETADORA1ADORA2AMEN1KMT2A
SCHEMBL6315833 0.84 KIT (0.48) RETADORA1ADORA2AMEN1KMT2A
SCHEMBL6315238 0.83 ADORA1 (0.44) RETHSP90AA1ADORA1ADORA2AMEN1
SCHEMBL27591466 0.83 HSP90AA1 (0.41) RETHSP90AA1ADORA1ADORA2AALDH1A1
SCHEMBL6315376 0.82 RET (0.41) RETADORA1ADORA2AMEN1KMT2A
SCHEMBL6315136 0.81 ALDH1A1 (0.47) RETHSP90AA1ADORA1ADORA2AMEN1
SCHEMBL6318201 0.80 RET (0.40) RETADORA1ADORA2AMEN1KMT2A
SCHEMBL6318012 0.79 MAPK14 (0.51) MEN1KMT2AGAASMN1; SMN2ALDH1A1

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 RET 768/4885HSP90AA1 1538/4885PTPN1 826/4885

“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.