SCHEMBL545338

SCHEMBL545338

CC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(C5=NCCN5)c4)cc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.49
RAF1 P04049 6/20 0.49
LCK P06239 4/20 0.47
FYN P06241 4/20 0.47
PDGFRB P09619 4/20 0.47
KIT P10721 4/20 0.47
FLT1 P17948 4/20 0.47
FLT4 P35916 4/20 0.47
KDR P35968 4/20 0.47
SRC P12931 1/20 0.46
CYP3A4 P08684 3/20 0.45
FDPS P14324 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
SCHEMBL5430237 0.84 BRAF (0.49) BRAFRAF1LCKFYNPDGFRB
SCHEMBL5431873 0.81 BRAF (0.46) BRAFRAF1LCKFYNPDGFRB
SCHEMBL5424304 0.81 RAF1 (0.52) BRAFRAF1LCKFYNPDGFRB
SCHEMBL3546037 0.79 RAF1 (0.47) BRAFRAF1LCKFYNPDGFRB
SCHEMBL3540218 0.79 BRAF (0.46) BRAFRAF1LCKFYNPDGFRB
SCHEMBL545887 0.78 KDR (0.51) BRAFRAF1LCKFYNPDGFRB
SCHEMBL3544963 0.78 TRPV1 (0.48) BRAFRAF1
SCHEMBL3544956 0.78 TRPV1 (0.48) BRAFRAF1
SCHEMBL544984 0.77 BRAF (0.43) BRAFRAF1LCKFYNPDGFRB
SCHEMBL3547764 0.77 RAF1 (0.42) BRAFRAF1LCKFYNPDGFRB

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 215/4885RAF1 198/4885LCK 101/4885

“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.