SCHEMBL545259

SCHEMBL545259

NCc1cc(NC(=O)c2cnc3ccc(Oc4ccnc(C5=NCCN5)c4)cc3c2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.46
RAF1 P04049 11/20 0.46
KDR P35968 4/20 0.37
LOX P28300 2/20 0.37
LOXL2 Q9Y4K0 2/20 0.37
KCNH2 Q12809 1/20 0.36
LCK P06239 1/20 0.36

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
SCHEMBL545068 0.86 RAF1 (0.43) BRAFRAF1KDRLOXLOXL2
SCHEMBL5428304 0.85 RAF1 (0.44) BRAFRAF1KDR
SCHEMBL545902 0.84 KDR (0.53) BRAFKDRKCNH2
SCHEMBL545506 0.82 BRAF (0.60) BRAFRAF1KDRKCNH2LCK
SCHEMBL5418586 0.81 RAF1 (0.51) BRAFRAF1KDRLCK
SCHEMBL5430237 0.81 BRAF (0.49) BRAFRAF1KDRLCK
SCHEMBL10199859 0.80 BRAF (0.43) BRAFRAF1KDR
SCHEMBL3545940 0.78 BRAF (0.46) BRAFRAF1KDR
SCHEMBL545009 0.78 HTT (0.42) BRAFRAF1KDR
SCHEMBL545910 0.78 MAPT (0.44) KDR

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 198/4885KDR 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.