SCHEMBL546238

SCHEMBL546238

CC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(NC(=O)OCCN5CCCC5)c4)cc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.54
BRAF P15056 10/20 0.48
KDR P35968 4/20 0.48
PDGFRB P09619 3/20 0.48
FLT1 P17948 3/20 0.48
LCK P06239 2/20 0.48
FYN P06241 2/20 0.48
KIT P10721 2/20 0.48
FLT4 P35916 2/20 0.48
SRC P12931 1/20 0.48
FGFR2 P21802 2/20 0.43
FGFR3 P22607 2/20 0.43
PDGFRA P16234 1/20 0.43
MCHR1 Q99705 1/20 0.43
RAF1 P04049 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL5436373 0.94 MAPK14 (0.47) FGFR1BRAFKDRPDGFRBFLT1
SCHEMBL545450 0.86 BRAF (0.50) FGFR1BRAFKDRPDGFRBFLT1
SCHEMBL5418775 0.84 BRAF (0.52) FGFR1BRAFKDRPDGFRBFLT1
SCHEMBL10200809 0.84 BRAF (0.51) BRAFKDRPDGFRBFLT1LCK
SCHEMBL545071 0.83 BRAF (0.50) FGFR1BRAFKDRPDGFRBFLT1
SCHEMBL5423590 0.83 BRAF (0.62) BRAFKDRPDGFRBFLT1LCK
SCHEMBL4643326 0.83 BRAF (0.54) BRAFKDRPDGFRBFLT1LCK
SCHEMBL545127 0.83 BRAF (0.54) FGFR1BRAFKDRPDGFRBFLT1
SCHEMBL545264 0.82 BRAF (0.51) BRAFKDRPDGFRBFLT1LCK
SCHEMBL544977 0.81 BRAF (0.51) BRAFKDRPDGFRBFLT1LCK

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 FGFR1 580/4885BRAF 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.