SCHEMBL5428121

SCHEMBL5428121

CC(C)(C)c1cccc(NC(=O)C2COc3ccc(Oc4ccnc(C5=NCCN5)c4)cc3C2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.48
MAPT P10636 1/20 0.48
BRAF P15056 6/20 0.46
ROCK2 O75116 5/20 0.45
POLB P06746 1/20 0.43
KDR P35968 5/20 0.42
LMNA P02545 2/20 0.42
RPS6KB1 P23443 1/20 0.41
RAF1 P04049 1/20 0.41
MAOB P27338 1/20 0.40

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
SCHEMBL545270 0.86 BRAF (0.52) BRAFKDRRAF1
SCHEMBL545191 0.86 BRAF (0.52) BRAFKDRRAF1
SCHEMBL546193 0.86 BRAF (0.52) BRAFKDRRAF1
SCHEMBL544984 0.83 BRAF (0.43) BRAFKDRRAF1
SCHEMBL545087 0.82 BRAF (0.43) BRAFKDRRAF1
SCHEMBL545697 0.79 BRAF (0.58) BRAFKDRRAF1
SCHEMBL545404 0.76 BRAF (0.49) BRAFKDRRAF1
SCHEMBL3546037 0.76 RAF1 (0.47) BRAFKDRLMNARAF1
SCHEMBL545338 0.75 BRAF (0.49) BRAFKDRRAF1
SCHEMBL545645 0.74 BRAF (0.48) BRAFKDRRAF1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TP53 1008/4885MAPT 2178/4885BRAF 215/4885

“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.