SCHEMBL545894

SCHEMBL545894

CC(=O)Nc1cc(Oc2ccc3c(c2)CC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)OC3)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.58
KDR P35968 15/20 0.58
RAF1 P04049 4/20 0.58
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
MEN1 O00255 1/20 0.49
PLK4 O00444 1/20 0.49
CIT O14578 1/20 0.49
AURKA O14965 1/20 0.49
MUSK O15146 1/20 0.49
EPHB6 O15197 1/20 0.49

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
SCHEMBL545934 0.88 RAF1 (0.75) BRAFKDRRAF1MEN1PLK4
SCHEMBL10267992 0.88 BRAF (0.46) BRAFKDRRAF1MAPK14
SCHEMBL5422515 0.86 BRAF (0.60) BRAFKDRRAF1HDAC3HDAC4
SCHEMBL546114 0.85 BRAF (0.76) BRAFKDRRAF1
SCHEMBL545333 0.85 BRAF (0.54) BRAFKDRRAF1MEN1PLK4
SCHEMBL545430 0.82 BRAF (0.54) BRAFKDRRAF1LCKFYN
SCHEMBL545846 0.81 RAF1 (0.55) BRAFKDRRAF1FLT1
SCHEMBL5436422 0.77 BRAF (0.55) BRAFKDRRAF1HDAC3HDAC4
SCHEMBL545678 0.75 BRAF (0.58) BRAFKDRRAF1EGFRLCK
SCHEMBL545926 0.75 RAF1 (0.75) BRAFKDRRAF1MEN1PLK4

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 5 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-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
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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 1264/4885RAF1 198/4885

“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.