SCHEMBL6316499

SCHEMBL6316499

NC(=O)c1c(-c2cccnc2)noc1NC(=O)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.52
ADORA2A P29274 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 2/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
GSK3B P49841 3/20 0.47
DYRK1A Q13627 3/20 0.47
ABL1 P00519 1/20 0.47
CDK2 P24941 2/20 0.45
KDR P35968 1/20 0.45
DYRK1B Q9Y463 2/20 0.44
CLK1 P49759 1/20 0.44
HASPIN Q8TF76 1/20 0.44
JAK2 O60674 1/20 0.43
TYK2 P29597 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6318281 0.85 ADORA2B (0.51) ADORA2BADORA2ACYP3A4CYP1A2CYP2C9
SCHEMBL27609928 0.83 ADORA2B (0.48) ADORA2BADORA2ACYP3A4CYP1A2CYP2C9
SCHEMBL6318780 0.79 SMN1; SMN2 (0.54) CYP3A4CYP1A2CYP2C9CYP2C19DYRK1A
SCHEMBL6317779 0.78 RAB9A (0.49) ADORA2BADORA2AGSK3BDYRK1AABL1
SCHEMBL6315484 0.78 GSK3B (0.44) GSK3BCDK2MEN1GAAKMT2A
SCHEMBL28753473 0.78 ADORA2B (0.48) ADORA2BADORA2ACYP3A4CYP1A2CYP2C9
SCHEMBL6316996 0.77 KMT2A (0.44) ADORA2AKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL6316473 0.77 KMT2A (0.53) KDM4EALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL6315761 0.77 CYP11B1 (0.52) HDAC1HDAC2DYRK1AABL1CLK1
SCHEMBL6317636 0.77 ALDH1A1 (0.43) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E

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 1101/4885CYP3A4 4111/4885

“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.