SCHEMBL6318201

SCHEMBL6318201

CCCC(CCC)C(=O)Nc1onc(-c2ccsc2)c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
ADORA1 P30542 3/20 0.36
ADORA2A P29274 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
KIT P10721 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
HDAC1 Q13547 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
BACE1 P56817 1/20 0.34
IKBKB O14920 1/20 0.34

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
SCHEMBL6315376 0.91 RET (0.41) RETCA1CA2ADORA1ADORA2A
SCHEMBL6317564 0.85 MLYCD (0.42) CA1CA2MEN1KMT2AGAA
SCHEMBL6317993 0.83 ADORA1 (0.51) RETADORA1ADORA2AMEN1KMT2A
SCHEMBL6318389 0.81 ALDH1A1 (0.43) RETCA1CA2ADORA1ADORA2A
SCHEMBL6315238 0.81 ADORA1 (0.44) RETADORA1ADORA2AMEN1KMT2A
SCHEMBL6318306 0.80 RET (0.44) RETADORA1ADORA2AMEN1KMT2A
SCHEMBL6318092 0.80 ALDH1A1 (0.42) RETCA1CA2MEN1KMT2A
SCHEMBL6316792 0.78 RET (0.41) RETCA1CA2MEN1KMT2A
SCHEMBL6317751 0.78 LMNA (0.37) CA1CA2TAS1R3TAS1R1ALDH1A1
SCHEMBL6316117 0.78 CSNK1D (0.40) RETCA1CA2ADORA1ADORA2A

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 7 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-6887881-B1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2005-05-03 US disclosed
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 RET 768/4885CA1 2406/4885CA2 2764/4885

“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.