SCHEMBL6323982

SCHEMBL6323982

Nc1onc(-c2ccc(Br)s2)c1C(=O)NCc1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 10/20 0.42
MAOB P27338 1/20 0.41
CHRM4 P08173 1/20 0.40
MET P08581 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
S1PR3 Q99500 2/20 0.37

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
SCHEMBL6318905 0.89 CHRM4 (0.45) PDPK1MAOBCHRM4METCA1
SCHEMBL6323549 0.88 CA1 (0.52) PDPK1MAOBCHRM4CA1CA2
SCHEMBL6315818 0.87 PDPK1 (0.45) PDPK1MAOBCHRM4S1PR3
SCHEMBL6322797 0.87 ALDH1A1 (0.46) MAOBCHRM4CA1CA2CA4
SCHEMBL6318468 0.85 ADORA1 (0.45) PDPK1MAOBCA1CA2CA4
SCHEMBL6315784 0.85 KMT2A (0.47) CHRM4CA1CA2CA4CA7
SCHEMBL6324462 0.84 GAA (0.46) CA1CA2CA4CA7RXFP1
SCHEMBL6316417 0.84 HDAC1 (0.43) PDPK1CHRM4CA1CA2CA4
SCHEMBL6317435 0.83 GAA (0.53) KMT2A
SCHEMBL6317057 0.83 ALDH1A1 (0.46) MAOBCHRM4RXFP1KMT2AATM

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
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
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 PDPK1 35/4885MAOB 1851/4885CHRM4 4046/4885

“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.