SCHEMBL6323617

SCHEMBL6323617

CC(C)(C)CC(=O)Nc1onc(-c2nccs2)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.41
ADORA1 P30542 8/20 0.40
ADORA2B P29275 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
POLB P06746 1/20 0.32
AHR P35869 1/20 0.32

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
SCHEMBL6316058 0.84 NPC1 (0.38) ADORA2AADORA1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL6317093 0.84 ADORA2A (0.42) ADORA2AADORA1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL6317526 0.83 ALDH1A1 (0.36) ADORA2AALDH1A1NPC1PKMHPGD
SCHEMBL27591734 0.82 ADORA2A (0.38) ADORA2AADORA1ADORA2BSMN1; SMN2ALDH1A1
SCHEMBL6321734 0.81 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KDM4ENPC1PKM
SCHEMBL6318423 0.80 POLB (0.55) SMN1; SMN2ALDH1A1NPC1HPGDRAB9A
SCHEMBL6318529 0.80 TDP1 (0.40) ADORA1SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL6318507 0.79 SMN1; SMN2 (0.48) ADORA2ASMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL6319422 0.78 NPC1 (0.55) ADORA2AADORA1SMN1; SMN2ALDH1A1NPC1
SCHEMBL6318208 0.78 RAB9A (0.51) ADORA1ADORA2BSMN1; SMN2ALDH1A1KDM4E

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
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

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 ADORA2A 1101/4885ADORA1 1592/4885ADORA2B 2092/4885

“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.