SCHEMBL6317738

SCHEMBL6317738

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK14 Q16539 7/20 0.43
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MLYCD O95822 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
PTPN1 P18031 1/20 0.40
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
AAK1 Q2M2I8 1/20 0.38
GABRA5 P31644 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
SCHEMBL6318306 0.85 RET (0.44) KDM4EALDH1A1HSD17B10NPC1TP53
SCHEMBL6316033 0.84 MAPK14 (0.47) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6315244 0.83 MAPK14 (0.43) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL6323865 0.83 MAPK14 (0.43) KDM4EALDH1A1HPGDHSD17B10MAPK14
SCHEMBL6317765 0.82 MAPK14 (0.48) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL27591461 0.82 MAPK14 (0.48) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6315136 0.81 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6317626 0.81 MLYCD (0.43) KDM4EALDH1A1HPGDHSD17B10MAPK14
SCHEMBL6317564 0.79 MLYCD (0.42) KDM4EALDH1A1HPGDHSD17B10MAPK14
SCHEMBL6317291 0.78 MAPK14 (0.67) MAPK14KMT2AGAA

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 KDM4E 1382/4885ALDH1A1 4444/4885HPGD 2923/4885

“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.