SCHEMBL545444

SCHEMBL545444

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.50
RAF1 P04049 8/20 0.50
CNR2 P34972 1/20 0.45
KDR P35968 5/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MAPK14 Q16539 2/20 0.44
EGFR P00533 1/20 0.44
LCK P06239 1/20 0.44
RET P07949 1/20 0.44
EPHA2 P29317 1/20 0.44
DDR2 Q16832 1/20 0.44
KCNH2 Q12809 2/20 0.43
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL545586 0.93 BRAF (0.49) BRAFRAF1CNR2KDRMTNR1A
SCHEMBL545627 0.92 BRAF (0.48) BRAFRAF1CNR2KDRMTNR1A
SCHEMBL545649 0.91 CNR2 (0.50) BRAFRAF1CNR2KDRMTNR1A
SCHEMBL545759 0.91 CNR2 (0.50) BRAFRAF1CNR2KDRMTNR1A
SCHEMBL545496 0.90 BRAF (0.49) BRAFRAF1KDRMTNR1AMTNR1B
SCHEMBL545787 0.89 BRAF (0.46) BRAFRAF1CNR2KDRMTNR1A
SCHEMBL546007 0.89 BRAF (0.51) BRAFRAF1KDRMTNR1AMTNR1B
SCHEMBL546005 0.89 BRAF (0.53) BRAFRAF1KDRMTNR1AMTNR1B
SCHEMBL545680 0.89 BRAF (0.51) BRAFRAF1KDRMTNR1AMTNR1B
SCHEMBL545500 0.89 BRAF (0.57) BRAFRAF1KDRMTNR1AMTNR1B

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 198/4885CNR2 2048/4885

“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.