SCHEMBL545857

SCHEMBL545857

COc1cccc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(C)=O)c4)cc3C2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.63
RAF1 P04049 9/20 0.63
KDR P35968 5/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50
TUBB6 Q9BUF5 1/20 0.50
TUBB2B Q9BVA1 1/20 0.50
TUBB1 Q9H4B7 1/20 0.50
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 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
SCHEMBL545703 0.90 BRAF (0.68) BRAFRAF1KDR
SCHEMBL545693 0.88 BRAF (0.68) BRAFRAF1KDR
SCHEMBL545976 0.88 BRAF (0.70) BRAFRAF1KDR
SCHEMBL545822 0.88 BRAF (0.61) BRAFRAF1KDR
SCHEMBL545974 0.87 BRAF (0.76) BRAFRAF1KDR
SCHEMBL545232 0.85 BRAF (0.66) BRAFRAF1KDR
SCHEMBL546086 0.84 BRAF (0.65) BRAFRAF1KDR
SCHEMBL546516 0.84 BRAF (0.62) BRAFRAF1KDR
SCHEMBL546182 0.83 BRAF (0.77) BRAFRAF1KDR
SCHEMBL546566 0.82 BRAF (0.64) 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 2 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-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.