SCHEMBL6315546

SCHEMBL6315546

CC(C)CNC(=O)c1c(-c2cccnc2)noc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
DYRK1A Q13627 1/20 0.49
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HIF1A Q16665 1/20 0.43
GABRA5 P31644 1/20 0.43
RET P07949 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
HTT P42858 2/20 0.40
GABRA1 P14867 2/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40

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
SCHEMBL6315451 0.89 ALDH1A1 (0.47) ALDH1A1DYRK1AKDM4EL3MBTL1GABRA5
SCHEMBL6315360 0.84 GABRA5 (0.43) ALDH1A1DYRK1AKDM4EL3MBTL1GABRA5
SCHEMBL6317397 0.84 TSHR (0.43) ALDH1A1DYRK1AKDM4EL3MBTL1GABRA5
SCHEMBL6318002 0.83 GAA (0.50) ALDH1A1KDM4EL3MBTL1HIF1AGAA
SCHEMBL6323514 0.83 ALDH1A1 (0.45) ALDH1A1DYRK1AKDM4EL3MBTL1GABRA5
SCHEMBL6617642 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6316924 0.82 GAA (0.49) ALDH1A1KDM4EL3MBTL1HIF1AGAA
SCHEMBL885609 0.82 PTAFR (0.44) ALDH1A1DYRK1AKDM4EL3MBTL1GABRA5
SCHEMBL6316413 0.82 ALDH1A1 (0.44) ALDH1A1DYRK1AKDM4EL3MBTL1GABRA5
SCHEMBL6316553 0.82 ALDH1A1 (0.66) ALDH1A1KDM4EL3MBTL1CA1CA2

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 ALDH1A1 4444/4885DYRK1A 462/4885KDM4E 1382/4885

“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.