SCHEMBL6317985

SCHEMBL6317985

O=C(Cc1ccccc1)Nc1onc(-c2ccsc2)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.51
ELOVL1 Q9BW60 1/20 0.42
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
EPHX2 P34913 1/20 0.40
MAPK8 P45983 2/20 0.40
MAPK10 P53779 2/20 0.40
POLB P06746 1/20 0.40
PRKACA P17612 1/20 0.40
ROCK1 Q13464 1/20 0.40
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 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
SCHEMBL6323664 0.84 ROCK2 (0.44) POLBROCK1CDK2LMNA
SCHEMBL6318603 0.84 L3MBTL1 (0.47) MAPK14ADORA2AADORA1POLBCCNE1
SCHEMBL6324270 0.82 ADORA1 (0.52) MAPK14ADORA2AADORA1MEN1KMT2A
SCHEMBL6322968 0.82 KIT (0.47) MAPK14ADORA2APOLBMEN1KMT2A
SCHEMBL6315691 0.81 CNR1 (0.44) EPHX2ROCK1CDK2MEN1KMT2A
SCHEMBL6321302 0.81 EDNRA (0.39) MEN1KMT2A
SCHEMBL6319874 0.81 KIT (0.51) ADORA2AADORA1MEN1KMT2ALMNA
SCHEMBL6318012 0.80 MAPK14 (0.51) MAPK14POLBMEN1KMT2ALMNA
Butyramide SCHEMBL27591450 0.78 ADORA1 (0.47) MAPK14ADORA2AADORA1POLBMEN1
SCHEMBL6317596 0.77 RXFP1 (0.53) MAPK8PRKACAROCK1

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 3 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

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 MAPK14 111/4885ELOVL1 4182/4885ADORA2A 1101/4885

“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.