SCHEMBL6317626

SCHEMBL6317626

CCC(CC)C(=O)Nc1onc(-c2ccncc2)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.43
MAPK14 Q16539 4/20 0.43
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
ADORA1 P30542 2/20 0.40
ADORA2A P29274 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6317564 0.91 MLYCD (0.42) MLYCDMAPK14KMT2AGAAMEN1
SCHEMBL6316996 0.86 KMT2A (0.44) KMT2AGAAMEN1ADORA1ADORA2A
SCHEMBL6315376 0.85 RET (0.41) MLYCDKMT2AGAAMEN1SMN1; SMN2
SCHEMBL27591704 0.82 MLYCD (0.44) MLYCDMAPK14SMN1; SMN2MAPK1ADORA1
SCHEMBL6316033 0.81 MAPK14 (0.47) MLYCDMAPK14KMT2AGAAMEN1
SCHEMBL6315246 0.81 KDM4E (0.53) KMT2AGAAMEN1SMN1; SMN2ADORA1
SCHEMBL6317738 0.81 KDM4E (0.44) MLYCDMAPK14KMT2AGAAMEN1
SCHEMBL6318046 0.80 ADORA1 (0.42) KMT2AGAAMEN1SMN1; SMN2ADORA1
SCHEMBL6317765 0.80 MAPK14 (0.48) MLYCDMAPK14KMT2AGAAMEN1
SCHEMBL6323865 0.78 MAPK14 (0.43) MLYCDMAPK14KMT2AGAAMEN1

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 MLYCD 1582/4885MAPK14 111/4885KMT2A 1089/4885

“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.