SCHEMBL545514

SCHEMBL545514

CC(C)(C)c1cc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(=O)CN5CCOCC5)c4)cc3C2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.51
BRAF P15056 16/20 0.51
RAF1 P04049 9/20 0.51

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
SCHEMBL5425807 0.88 BRAF (0.53) KDRBRAFRAF1
SCHEMBL546566 0.86 BRAF (0.64) KDRBRAFRAF1
SCHEMBL545963 0.81 BRAF (0.56) KDRBRAFRAF1
SCHEMBL544068 0.81 BRAF (0.56) KDRBRAFRAF1
SCHEMBL545746 0.78 BRAF (0.46) KDRBRAFRAF1
SCHEMBL545947 0.76 BRAF (0.77) KDRBRAFRAF1
SCHEMBL545580 0.74 BRAF (0.63) KDRBRAFRAF1
SCHEMBL546225 0.74 BRAF (0.62) KDRBRAFRAF1
SCHEMBL545906 0.74 BRAF (0.68) KDRBRAFRAF1
SCHEMBL546114 0.73 BRAF (0.76) KDRBRAFRAF1

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 3 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 claimed
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 KDR 1264/4885BRAF 215/4885RAF1 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.