SCHEMBL6318281

SCHEMBL6318281

NC(=O)c1c(-c2ccncc2)noc1NC(=O)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 16/20 0.51
ADORA2A P29274 14/20 0.51
ADORA1 P30542 8/20 0.51
CYP3A4 P08684 4/20 0.51
CYP2D6 P10635 2/20 0.51
RXFP1 Q9HBX9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADORA3 P0DMS8 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
CYP2C19 P33261 1/20 0.43
ABL1 P00519 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6316499 0.85 ADORA2B (0.52) ADORA2BADORA2ACYP3A4L3MBTL1CYP1A2
SCHEMBL6315484 0.84 GSK3B (0.44)
SCHEMBL27591469 0.81 ADORA2B (0.46) ADORA2BADORA2AADORA1CYP3A4CYP2D6
SCHEMBL6317017 0.80 KDM4E (0.52) HDAC3HDAC1HDAC2KDM4EHPGD
SCHEMBL6317779 0.79 RAB9A (0.49) ADORA2BADORA2AADORA1L3MBTL1ADORA3
SCHEMBL6315733 0.78 ALDH1A1 (0.49) HPGD
SCHEMBL6319728 0.77 TBK1 (0.52) L3MBTL1HDAC2KDM4EHPGD
SCHEMBL6317926 0.77 ADORA2A (0.49) ADORA2BADORA2AADORA1
SCHEMBL6316033 0.76 MAPK14 (0.47) ADORA2AADORA1KDM4EHPGD
SCHEMBL6318109 0.76 MAPK14 (0.46) L3MBTL1KDM4EHPGD

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

“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.