SCHEMBL545694

SCHEMBL545694

O=C(NC1CCc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2C1)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.65
RAF1 P04049 7/20 0.65
KDR P35968 13/20 0.60

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
SCHEMBL545678 0.92 BRAF (0.58) BRAFRAF1KDR
SCHEMBL545511 0.86 BRAF (0.74) BRAFRAF1KDR
SCHEMBL545806 0.85 BRAF (0.69) BRAFRAF1KDR
SCHEMBL544449 0.84 BRAF (0.49) BRAFRAF1KDR
SCHEMBL545366 0.81 BRAF (0.67) BRAFRAF1KDR
SCHEMBL545339 0.81 BRAF (0.83) BRAFRAF1KDR
SCHEMBL4679479 0.80 BRAF (0.61) BRAFRAF1KDR
SCHEMBL546114 0.79 BRAF (0.76) BRAFRAF1KDR
SCHEMBL10200879 0.78 BRAF (0.61) BRAFRAF1KDR
SCHEMBL546730 0.78 BRAF (0.65) BRAFRAF1KDR

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 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.