SCHEMBL545647

SCHEMBL545647

CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2cccc(C(C)=O)c2)CC3)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.51
RAF1 P04049 8/20 0.51
KDR P35968 7/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
LCK P06239 2/20 0.43
RET P07949 2/20 0.43
EPHA2 P29317 2/20 0.43
MAPK14 Q16539 2/20 0.43
ADRB3 P13945 1/20 0.43
EGFR P00533 1/20 0.43
DDR2 Q16832 1/20 0.43
KCNH2 Q12809 2/20 0.43
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43
MAPK13 O15264 1/20 0.43
JAK2 O60674 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
FYN P06241 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
SCHEMBL545680 0.92 BRAF (0.51) BRAFRAF1KDRMTNR1AMTNR1B
SCHEMBL545864 0.91 NPC1 (0.53) BRAFRAF1KDRADRB3
SCHEMBL546051 0.91 BRAF (0.50) BRAFRAF1KDRMTNR1AMTNR1B
SCHEMBL5423180 0.91 BRAF (0.48) BRAFRAF1KDRMTNR1AMTNR1B
SCHEMBL546430 0.90 BRAF (0.52) BRAFRAF1KDRMTNR1AMTNR1B
SCHEMBL545254 0.90 BRAF (0.49) BRAFRAF1KDRMTNR1AMTNR1B
SCHEMBL545436 0.90 MTNR1A (0.52) BRAFRAF1KDRMTNR1AMTNR1B
SCHEMBL545993 0.90 BRAF (0.51) BRAFRAF1KDRMTNR1AMTNR1B
SCHEMBL545183 0.89 BRAF (0.50) BRAFRAF1KDRMTNR1AMTNR1B
SCHEMBL546358 0.89 BRAF (0.56) BRAFRAF1KDRLCKRET

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 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.