SCHEMBL6317090

SCHEMBL6317090

CC(C)(C)CC(=O)Nc1onc(-c2ccccn2)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 4/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GRM5 P41594 1/20 0.37
ADORA1 P30542 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GABRA5 P31644 4/20 0.37
HSD11B1 P28845 1/20 0.36
EDNRA P25101 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL6315406 0.85 RAB9A (0.41) RETRAB9ANPC1TP53KDM4E
SCHEMBL6318817 0.83 ADORA1 (0.40) RETSMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL6317185 0.82 MAPK14 (0.40) RETGAAMAPTHPGDKDM4E
SCHEMBL6318523 0.81 ADORA1 (0.38) SMN1; SMN2HTTRAB9ANPC1GAA
SCHEMBL6323865 0.80 MAPK14 (0.43) SMN1; SMN2HTTGAAHPGDKDM4E
SCHEMBL6315971 0.80 TRPV1 (0.56) SMN1; SMN2TP53MEN1KMT2A
SCHEMBL6318046 0.80 ADORA1 (0.42) RETSMN1; SMN2TP53GAAKDM4E
SCHEMBL6316529 0.79 ALDH1A1 (0.43) RETGAAMAPTKDM4EALDH1A1
SCHEMBL6321734 0.78 ALDH1A1 (0.53) RETSMN1; SMN2HTTRAB9ANPC1
SCHEMBL6316288 0.78 RET (0.40) RETTP53GAAKDM4EALDH1A1

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 4 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
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 RET 768/4885SMN1; SMN2 2766/4885HTT 2134/4885

“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.