SCHEMBL6316604

SCHEMBL6316604

Nc1onc(-c2ccncc2)c1C(=O)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
ROCK2 O75116 5/20 0.55
MAPK1 P28482 4/20 0.55
ROCK1 Q13464 2/20 0.55
RPS6KA5 O75582 1/20 0.55
MAP4K4 O95819 1/20 0.55
PRKCG P05129 1/20 0.55
PRKACA P17612 1/20 0.55
RPS6KB1 P23443 1/20 0.55
AKT1 P31749 1/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
PRKX P51817 1/20 0.55
PRKCD Q05655 1/20 0.55
PRKG2 Q13237 1/20 0.55
DYRK1A Q13627 1/20 0.55
PRKG1 Q13976 1/20 0.55
PKN2 Q16513 1/20 0.55
CDC42BPA Q5VT25 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55

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
SCHEMBL6315012 0.88 CA1 (0.50) ALDH1A1ROCK2ROCK1GAAMAPT
SCHEMBL6316488 0.88 L3MBTL1 (0.55) ALDH1A1ROCK2ROCK1CA1CA2
SCHEMBL6316553 0.87 ALDH1A1 (0.66) ALDH1A1MAPK1GAAMAPTCA1
SCHEMBL6318511 0.85 GAA (0.47) ALDH1A1MAPK1GAAMAPTCA1
SCHEMBL6319053 0.82 HPGDS (0.54) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL6316767 0.81 RAB9A (0.61) ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL6316308 0.80 ALDH1A1 (0.60) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL27609879 0.80 MAPK1 (0.46) ALDH1A1ROCK2MAPK1ROCK1MAPK3
SCHEMBL6316706 0.79 GAA (0.46) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL6324039 0.78 ALDH1A1 (0.52) ALDH1A1MAPK1GSK3BGAAMAPT

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 4444/4885ROCK2 1500/4885MAPK1 178/4885

“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.