SCHEMBL6318210

SCHEMBL6318210

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CSNK1D P48730 1/20 0.44
CSNK1E P49674 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
TDO2 P48775 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
IKBKB O14920 1/20 0.39

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
SCHEMBL6323514 0.81 ALDH1A1 (0.45) DYRK1AALDH1A1KDM4EL3MBTL1CA1
SCHEMBL6317791 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6315186 0.80 TDO2 (0.49) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6315391 0.80 IKBKB (0.51) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6319035 0.80 ALDH1A1 (0.57) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6315546 0.80 ALDH1A1 (0.49) DYRK1AALDH1A1KDM4EL3MBTL1CA1
SCHEMBL6316413 0.80 ALDH1A1 (0.44) DYRK1AALDH1A1KDM4EL3MBTL1CA1
SCHEMBL6318002 0.79 GAA (0.50) ALDH1A1KDM4EL3MBTL1POLBGAA
SCHEMBL6318188 0.78 L3MBTL1 (0.48) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6315360 0.78 GABRA5 (0.43) DYRK1AALDH1A1KDM4EL3MBTL1CA1

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 DYRK1A 462/4885ALDH1A1 4444/4885KDM4E 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.