SCHEMBL6316033

SCHEMBL6316033

CCCC(=O)Nc1onc(-c2ccncc2)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.47
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
GSK3B P49841 3/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSP90AA1 P07900 1/20 0.41
GSK3A P49840 1/20 0.41
TP53 P04637 1/20 0.39
MLYCD O95822 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL6317765 0.93 MAPK14 (0.48) MAPK14KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6317993 0.84 ADORA1 (0.51) ALDH1A1HSD17B10KMT2AMEN1GAA
SCHEMBL6317738 0.84 KDM4E (0.44) MAPK14KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6323865 0.84 MAPK14 (0.43) MAPK14KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6315244 0.84 MAPK14 (0.43) MAPK14KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6316643 0.83 MAPK14 (0.67) MAPK14KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6317564 0.82 MLYCD (0.42) MAPK14KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6315733 0.82 ALDH1A1 (0.49) MAPK14ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL6317626 0.81 MLYCD (0.43) MAPK14KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27609889 0.81 MAPK14 (0.52) MAPK14KDM4EALDH1A1HPGDHSD17B10

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 MAPK14 111/4885KDM4E 1382/4885ALDH1A1 4444/4885

“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.