SCHEMBL545139

SCHEMBL545139

CC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(-c5ncc(CO)[nH]5)c4)cc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.49
BRAF P15056 12/20 0.48
KDR P35968 4/20 0.46
CYP3A4 P08684 3/20 0.46
FLT1 P17948 3/20 0.46
LCK P06239 2/20 0.46
FYN P06241 2/20 0.46
PDGFRB P09619 2/20 0.46
KIT P10721 2/20 0.46
FLT4 P35916 2/20 0.46
PPARD Q03181 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL5435304 0.91 RAF1 (0.48) RAF1BRAFKDRCYP3A4FLT1
SCHEMBL5438967 0.89 RAF1 (0.47) RAF1BRAFKDRCYP3A4FLT1
SCHEMBL545184 0.88 BRAF (0.45) RAF1BRAFKDRCYP3A4FLT1
SCHEMBL5430343 0.87 RAF1 (0.44) RAF1BRAFKDRCYP3A4FLT1
SCHEMBL545363 0.86 BRAF (0.46) RAF1BRAFKDRCYP3A4FLT1
SCHEMBL5429877 0.82 KDR (0.51) RAF1BRAFKDRCYP3A4FLT1
SCHEMBL545674 0.81 RAF1 (0.60) RAF1BRAFKDRFLT1LCK
SCHEMBL544938 0.80 RAF1 (0.45) RAF1BRAFKDRCYP3A4FLT1
SCHEMBL545714 0.80 KDM4E (0.52) RAF1BRAFKDRFLT1LCK
SCHEMBL5431873 0.79 BRAF (0.46) RAF1BRAFKDRFLT1LCK

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 RAF1 198/4885BRAF 215/4885KDR 1264/4885

“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.