SCHEMBL6315993

SCHEMBL6315993

Nc1onc(-c2nccs2)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.41
ADORA2A P29274 4/20 0.38
ADORA1 P30542 4/20 0.37
PDPK1 O15530 1/20 0.35
HDAC2 Q92769 2/20 0.34
GRIK1 P39086 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRIK3 Q13003 1/20 0.34
GRIK4 Q16099 1/20 0.34
GRIK5 Q16478 1/20 0.34
HSP90AA1 P07900 1/20 0.34
TSHR P16473 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL6316389 0.88 CHEK2 (0.39) ECE1ADORA2AADORA1HDAC2HSP90AA1
SCHEMBL6322686 0.81 CA1 (0.53) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL27591690 0.78 KDM4E (0.42) ADORA2APDPK1TSHRLMNARAB9A
SCHEMBL6316706 0.78 GAA (0.46) TSHRLMNARAB9AALDH1A1GAA
SCHEMBL6316669 0.78 ALDH1A1 (0.44) ADORA2AADORA1HDAC2TSHRHDAC3
SCHEMBL6314757 0.76 CYP1A2 (0.49) RAB9AALDH1A1GAA
SCHEMBL27609927 0.75 ADORA2A (0.44) ECE1ADORA2AADORA1PDPK1HDAC2
SCHEMBL29290790 0.75 ECE1 (0.46) ECE1ADORA2AADORA1PDPK1HDAC2
SCHEMBL6315347 0.73 HDAC2 (0.45) HDAC2TSHRHDAC3HDAC4HDAC1
SCHEMBL6322278 0.73 MEN1 (0.46) ADORA2ATSHRLMNARAB9AALDH1A1

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 8 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
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN 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
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN 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 ECE1 2176/4885ADORA2A 1101/4885ADORA1 1592/4885

“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.