SCHEMBL6324482

SCHEMBL6324482

Nc1onc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C(=O)NCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
CTSK P43235 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MLLT1 Q03111 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PIM1 P11309 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HIF1A Q16665 1/20 0.40
BRD4 O60885 1/20 0.40
PTGER4 P35408 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC9A1 P19634 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6315890 0.95 MLLT1 (0.46) CYP1A2CYP2C19MLLT1HDAC6HIF1A
SCHEMBL6323890 0.89 HPGD (0.49) CYP1A2CYP2C19KMT2AALDH1A1SMN1; SMN2
SCHEMBL6324636 0.88 TRPV1 (0.48) CYP1A2CYP2C19MLLT1MEN1KMT2A
SCHEMBL6321455 0.88 TRPV1 (0.48) CYP1A2CYP2C19MLLT1MEN1KMT2A
SCHEMBL6317811 0.86 TRPV1 (0.48) CYP1A2CYP2C19MLLT1BRD4KMT2A
SCHEMBL6321840 0.85 TRPV1 (0.46) CYP1A2CYP2C19MLLT1BRD4SLC9A1
SCHEMBL6317335 0.84 MLYCD (0.46) CYP1A2CYP2C19MEN1KMT2ASLC9A1
SCHEMBL6317464 0.83 HPGD (0.46) CYP1A2CYP2C19MEN1KMT2ASLC9A1
SCHEMBL6317678 0.83 CYP1A2 (0.47) CYP1A2CYP2C19MEN1KMT2ASLC9A1
SCHEMBL6317320 0.83 CYP1A2 (0.49) CYP1A2CYP2C19RXFP1BRD4MEN1

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 CTSS 2235/4885CTSL 3374/4885CTSK 833/4885

“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.