SCHEMBL544983

SCHEMBL544983

CC(=O)Nc1cc(Oc2ccc3c(c2)CC(C(=O)Nc2ccc(CN4CCNCC4)c(C(F)(F)F)c2)CC3)ccn1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.61
RAF1 P04049 9/20 0.61
MKNK1 Q9BUB5 4/20 0.50
MKNK2 Q9HBH9 4/20 0.50
ABL1 P00519 4/20 0.50
BCR P11274 3/20 0.50
CYP3A4 P08684 2/20 0.49
SRC P12931 3/20 0.48
KDR P35968 4/20 0.48

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
SCHEMBL545580 0.94 BRAF (0.63) BRAFRAF1MKNK1MKNK2ABL1
SCHEMBL546225 0.93 BRAF (0.62) BRAFRAF1MKNK1MKNK2ABL1
SCHEMBL10200309 0.89 BRAF (0.78) BRAFRAF1MKNK1MKNK2ABL1
SCHEMBL545906 0.88 BRAF (0.68) BRAFRAF1KDR
SCHEMBL10200174 0.88 RAF1 (0.57) BRAFRAF1MKNK1MKNK2ABL1
SCHEMBL5428348 0.87 BRAF (0.77) BRAFRAF1KDR
SCHEMBL545994 0.87 BRAF (0.68) BRAFRAF1KDR
SCHEMBL545579 0.86 BRAF (0.77) BRAFRAF1KDR
SCHEMBL547446 0.85 BRAF (0.60) BRAFRAF1MKNK1MKNK2ABL1
SCHEMBL546114 0.83 BRAF (0.76) 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 6 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-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 198/4885MKNK1 70/4885

“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.