SCHEMBL6322686

SCHEMBL6322686

Nc1onc(-c2nccs2)c1C(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.53
CA2 P00918 9/20 0.53
CA4 P22748 9/20 0.53
CA7 P43166 9/20 0.53
AURKA O14965 1/20 0.44
PIM1 P11309 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3B P49841 1/20 0.44
HDAC2 Q92769 2/20 0.43
SCD O00767 1/20 0.43
SCD5 Q86SK9 1/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTGS2 P35354 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
LMNA P02545 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL6314757 0.88 CYP1A2 (0.49) CA1CA2CA4CA7SMN1; SMN2
SCHEMBL6316706 0.83 GAA (0.46) SCDSCD5MAPK1SMN1; SMN2CYP1A2
SCHEMBL6316669 0.83 ALDH1A1 (0.44) CA1CA2CA4CA7HDAC2
SCHEMBL6315347 0.82 HDAC2 (0.45) HDAC2SMN1; SMN2CYP1A2CYP2C9LMNA
SCHEMBL6318330 0.81 CA1 (0.56) CA1CA2CA4CA7MAPK1
SCHEMBL6315247 0.81 RAB9A (0.47) CA1CA2CA4CA7SMN1; SMN2
SCHEMBL6315993 0.81 ECE1 (0.41) HDAC2MAPK1LMNAHDAC3HDAC4
SCHEMBL6316741 0.80 HSD17B10 (0.52) MAPK1SMN1; SMN2LMNAMEN1NPC1
SCHEMBL6317089 0.79 MAPT (0.51) SMN1; SMN2LMNAHDAC6MEN1NPC1
SCHEMBL6316151 0.79 CA1 (0.56) CA1CA2CA4CA7MAPK1

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 8 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
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN 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 CA1 2406/4885CA2 2764/4885CA4 4029/4885

“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.