SCHEMBL6323664

SCHEMBL6323664

O=C(NCc1ccccc1)Nc1onc(-c2ccsc2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
ATG4B Q9Y4P1 2/20 0.42
GSK3B P49841 2/20 0.42
CDK2 P24941 1/20 0.42
GSK3A P49840 1/20 0.42
DYRK1A Q13627 1/20 0.42
HIPK4 Q8NE63 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
LMNA P02545 1/20 0.41
CFD P00746 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MMP3 P08254 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 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
SCHEMBL6324057 0.86 L3MBTL1 (0.47) ALDH1A1GAAKDM4EMAPT
SCHEMBL6317985 0.84 MAPK14 (0.51) ROCK1CDK2LMNAPOLB
SCHEMBL6315691 0.84 CNR1 (0.44) ROCK1GSK3BCDK2CLK4ALDH1A1
SCHEMBL6322968 0.80 KIT (0.47) LMNAALDH1A1KDM4EMAPTPOLB
SCHEMBL6321302 0.79 EDNRA (0.39) ALDH1A1HTTGAAKDM4EMAPT
SCHEMBL6318511 0.79 GAA (0.47) LMNAALDH1A1GAAMAPTPOLB
SCHEMBL6319874 0.79 KIT (0.51) LMNAALDH1A1HTTKDM4EMAPT
SCHEMBL6324270 0.78 ADORA1 (0.52) GSK3BLMNAALDH1A1MAPT
SCHEMBL6316921 0.78 KMT2A (0.37) LMNAALDH1A1GAAKDM4E
SCHEMBL6316237 0.77 HPGDS (0.47) ROCK2ROCK1ATG4BGSK3BCDK2

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 3 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

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 ROCK2 1500/4885ROCK1 1457/4885ATG4B 1672/4885

“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.