SCHEMBL545759

SCHEMBL545759

CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccc(OC)c(O)c2)CC3)ccn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.50
BRAF P15056 13/20 0.49
KDR P35968 3/20 0.49
RAF1 P04049 8/20 0.48
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CSF1R P07333 1/20 0.45
HDAC8 Q9BY41 2/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
EGFR P00533 1/20 0.43
LCK P06239 1/20 0.43
RET P07949 1/20 0.43
EPHA2 P29317 1/20 0.43
MAPK14 Q16539 1/20 0.43
DDR2 Q16832 1/20 0.43
KCNH2 Q12809 2/20 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
SCHEMBL545649 0.93 CNR2 (0.50) CNR2BRAFKDRRAF1MTNR1A
SCHEMBL546568 0.93 CNR2 (0.51) CNR2BRAFKDRRAF1MTNR1A
SCHEMBL545463 0.92 BRAF (0.49) CNR2BRAFKDRRAF1MTNR1A
SCHEMBL545444 0.91 BRAF (0.50) CNR2BRAFKDRRAF1MTNR1A
SCHEMBL545739 0.91 BRAF (0.49) CNR2BRAFKDRRAF1MTNR1A
SCHEMBL545155 0.91 BRAF (0.48) CNR2BRAFKDRRAF1MTNR1A
SCHEMBL545735 0.91 BRAF (0.48) CNR2BRAFKDRRAF1MTNR1A
SCHEMBL545180 0.91 BRAF (0.52) CNR2BRAFKDRRAF1MTNR1A
SCHEMBL545586 0.90 BRAF (0.49) CNR2BRAFKDRRAF1MTNR1A
SCHEMBL546005 0.90 BRAF (0.53) BRAFKDRRAF1MTNR1AMTNR1B

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 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 CNR2 2048/4885BRAF 215/4885KDR 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.