SCHEMBL6324039

SCHEMBL6324039

COc1ccc(-c2noc(N)c2C(=O)NCc2ccccc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
GSK3B P49841 2/20 0.48
CDK2 P24941 1/20 0.48
GAA P10253 1/20 0.46
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC1 Q13547 2/20 0.45
MAPT P10636 2/20 0.44
KLKB1 P03952 1/20 0.43
GABRA1 P14867 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL6316520 0.91 MAPT (0.52) ALDH1A1GSK3BCDK2HPGDHDAC1
SCHEMBL6323365 0.91 CDK2 (0.47) ALDH1A1GSK3BCDK2MEN1KMT2A
SCHEMBL6324006 0.90 MAPT (0.48) ALDH1A1GAAHPGDHSD17B10MEN1
SCHEMBL6323609 0.89 ADORA2A (0.48) ALDH1A1GSK3BCDK2HPGDHDAC1
SCHEMBL6316080 0.89 ALDH1A1 (0.48) ALDH1A1GSK3BCDK2GAAHPGD
SCHEMBL6315498 0.89 POLB (0.52) ALDH1A1GSK3BCDK2HPGDHDAC1
SCHEMBL6317605 0.88 L3MBTL1 (0.57) ALDH1A1GAAHPGDHSD17B10MEN1
SCHEMBL6324304 0.88 L3MBTL1 (0.53) ALDH1A1GAAHPGDHSD17B10MEN1
SCHEMBL6315541 0.88 GSK3B (0.46) ALDH1A1GSK3BCDK2HDAC1MAPT
SCHEMBL6324368 0.87 MAPT (0.44) ALDH1A1GSK3BCDK2HPGDMAPT

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 4444/4885GSK3B 167/4885CDK2 284/4885

“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.