SCHEMBL6318523

SCHEMBL6318523

CC(C)(C)CC(=O)Nc1onc(-c2ccc3ccccc3n2)c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 5/20 0.36
GAA P10253 3/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TACR3 P29371 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
SRC P12931 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMO Q99835 3/20 0.34
KCNH2 Q12809 1/20 0.34
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL6316802 0.86 MAP4K4 (0.42) ADORA1SMN1; SMN2MAPTGAARAB9A
SCHEMBL6322895 0.85 SMN1; SMN2 (0.42) ADORA1SMN1; SMN2HTTGAARAB9A
SCHEMBL6322010 0.84 ADORA1 (0.41) ADORA1SMN1; SMN2MAPTGAARAB9A
SCHEMBL6321948 0.82 RAB9A (0.55) ADORA1SMN1; SMN2HTTMAPTGAA
SCHEMBL6319257 0.82 ALDH1A1 (0.39) SMN1; SMN2MAPTGAARAB9AHPGD
SCHEMBL6317090 0.81 RET (0.39) ADORA1SMN1; SMN2HTTMAPTGAA
SCHEMBL6316137 0.81 ALDH1A1 (0.41) SMN1; SMN2HTTRAB9AHPGDMEN1
SCHEMBL6319745 0.81 ADORA1 (0.40) ADORA1SMN1; SMN2MAPTGAARAB9A
SCHEMBL6315987 0.78 NPC1 (0.47) ADORA1SMN1; SMN2RAB9AHPGDTACR3
SCHEMBL6314877 0.77 NPC1 (0.42) RAB9AALDH1A1NPC1KDM4EHDAC4

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 ADORA1 1592/4885SMN1; 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.