SCHEMBL545580

SCHEMBL545580

CC(=O)Nc1cc(Oc2ccc3c(c2)CC(C(=O)Nc2ccc(CN4CCCC4)c(C(F)(F)F)c2)CC3)ccn1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.63
RAF1 P04049 9/20 0.63
ABL1 P00519 3/20 0.52
BCR P11274 1/20 0.52
MKNK1 Q9BUB5 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
KDR P35968 6/20 0.49
SRC P12931 4/20 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
SCHEMBL546225 0.95 BRAF (0.62) BRAFRAF1ABL1BCRMKNK1
SCHEMBL544983 0.94 BRAF (0.61) BRAFRAF1ABL1BCRMKNK1
SCHEMBL545906 0.90 BRAF (0.68) BRAFRAF1KDR
SCHEMBL5428348 0.89 BRAF (0.77) BRAFRAF1KDR
SCHEMBL545994 0.88 BRAF (0.68) BRAFRAF1KDR
SCHEMBL545615 0.88 BRAF (0.81) BRAFRAF1ABL1BCRMKNK1
SCHEMBL547446 0.87 BRAF (0.60) BRAFRAF1ABL1BCRMKNK1
SCHEMBL545829 0.86 RAF1 (0.58) BRAFRAF1ABL1BCRMKNK1
SCHEMBL545371 0.86 BRAF (0.80) BRAFRAF1KDR
SCHEMBL545213 0.86 BRAF (0.80) 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 7 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-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 215/4885RAF1 198/4885ABL1 37/4885

“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.