SCHEMBL545363

SCHEMBL545363

CC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(-c5nc(CO)c[nH]5)c4)cc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.46
KDR P35968 5/20 0.44
FLT1 P17948 2/20 0.44
CYP3A4 P08684 2/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
FLT4 P35916 1/20 0.43
RAF1 P04049 4/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BTK Q06187 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PPARD Q03181 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL5429952 0.90 BRAF (0.45) BRAFKDRFLT1CYP3A4LCK
SCHEMBL5429877 0.88 KDR (0.51) BRAFKDRFLT1CYP3A4LCK
SCHEMBL545139 0.86 RAF1 (0.49) BRAFKDRFLT1CYP3A4LCK
SCHEMBL5432105 0.82 KDR (0.50) BRAFKDRFLT1CYP3A4LCK
SCHEMBL5426546 0.81 BRAF (0.49) BRAFKDRFLT1LCKFYN
SCHEMBL546081 0.80 KDR (0.43) BRAFKDRFLT1RAF1
SCHEMBL545714 0.80 KDM4E (0.52) BRAFKDRFLT1LCKFYN
SCHEMBL5431873 0.79 BRAF (0.46) BRAFKDRFLT1LCKFYN
SCHEMBL546141 0.79 BRAF (0.43) BRAFKDRFLT1CYP3A4LCK
SCHEMBL5438967 0.79 RAF1 (0.47) BRAFKDRFLT1CYP3A4LCK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 BRAF 215/4885KDR 1264/4885FLT1 1892/4885

“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.