SCHEMBL546548

SCHEMBL546548

CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccc(OCc4ccccc4)cc2)CC3)ccn1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 3/20 0.57
TAOK3 Q9H2K8 3/20 0.57
BRAF P15056 9/20 0.49
RAF1 P04049 6/20 0.49
KDR P35968 2/20 0.47
FAAH O00519 2/20 0.46
CSF1R P07333 2/20 0.46
MAPK14 Q16539 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
KCNH2 Q12809 1/20 0.44
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL5428112 0.93 BRAF (0.50) TAOK1TAOK3BRAFRAF1KDR
SCHEMBL545415 0.92 BRAF (0.54) BRAFRAF1KDRMAPK14HDAC8
SCHEMBL546140 0.90 BRAF (0.50) TAOK1TAOK3BRAFRAF1KDR
SCHEMBL546701 0.90 BRAF (0.51) TAOK1TAOK3BRAFRAF1KDR
SCHEMBL545569 0.89 BRAF (0.47) TAOK1TAOK3BRAFRAF1KDR
SCHEMBL545700 0.89 BRAF (0.50) TAOK1TAOK3BRAFRAF1KDR
SCHEMBL546161 0.88 BRAF (0.51) TAOK1BRAFRAF1KDRCSF1R
SCHEMBL546007 0.87 BRAF (0.51) BRAFRAF1KDRMAPK14KCNH2
SCHEMBL546005 0.87 BRAF (0.53) BRAFRAF1KDRCSF1RMAPK14
SCHEMBL545680 0.87 BRAF (0.51) BRAFRAF1KDRMAPK14KCNH2

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 TAOK1 612/4885TAOK3 576/4885BRAF 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.