SCHEMBL6322895

SCHEMBL6322895

CC(C)CC(=O)Nc1onc(-c2ccc3ccccc3n2)c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 4/20 0.42
GAA P10253 1/20 0.42
ADORA1 P30542 5/20 0.40
NPC1 O15118 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 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
SCHEMBL6316802 0.86 MAP4K4 (0.42) SMN1; SMN2RAB9AGAAADORA1NPC1
SCHEMBL6318523 0.85 ADORA1 (0.38) SMN1; SMN2RAB9AGAAADORA1NPC1
SCHEMBL6322010 0.84 ADORA1 (0.41) SMN1; SMN2RAB9AGAAADORA1NPC1
SCHEMBL6319745 0.83 ADORA1 (0.40) SMN1; SMN2RAB9AGAAADORA1NPC1
SCHEMBL6319257 0.82 ALDH1A1 (0.39) SMN1; SMN2RAB9AGAANPC1NFKB1
SCHEMBL6321948 0.82 RAB9A (0.55) SMN1; SMN2RAB9AGAAADORA1NPC1
SCHEMBL6316137 0.79 ALDH1A1 (0.41) SMN1; SMN2RAB9ANPC1HTTNFKB1
SCHEMBL6315987 0.78 NPC1 (0.47) SMN1; SMN2RAB9AADORA1NPC1HPGD
SCHEMBL6315136 0.76 ALDH1A1 (0.47) SMN1; SMN2RAB9AGAAADORA1NPC1
SCHEMBL6317601 0.75 NPC1 (0.42) SMN1; SMN2RAB9AGAANPC1LMNA

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 SMN1; SMN2 2766/4885RAB9A 1754/4885GAA 789/4885

“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.