SCHEMBL545505

SCHEMBL545505

CNC(=O)c1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cc(CNC(=O)CN)cc(C(F)(F)F)c2)CC3)ccn1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.84
RAF1 P04049 15/20 0.84
DDR2 Q16832 1/20 0.45
KDR P35968 3/20 0.45
PLK4 O00444 1/20 0.45
AURKA O14965 1/20 0.45
MAPK13 O15264 1/20 0.45
JAK2 O60674 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
LYN P07948 1/20 0.45
RET P07949 1/20 0.45
ROS1 P08922 1/20 0.45
SRC P12931 1/20 0.45
RPS6KB1 P23443 1/20 0.45
EPHA2 P29317 1/20 0.45
TYK2 P29597 1/20 0.45
AXL P30530 1/20 0.45

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
SCHEMBL546908 0.93 BRAF (0.80) BRAFRAF1DDR2KDRPLK4
SCHEMBL546357 0.92 BRAF (0.78) BRAFRAF1DDR2KDRPLK4
SCHEMBL10200925 0.92 BRAF (0.82) BRAFRAF1DDR2KDRPLK4
SCHEMBL545490 0.92 BRAF (1.00) BRAFRAF1KDRPLK4AURKA
SCHEMBL545729 0.92 BRAF (0.86) BRAFRAF1DDR2KDRPLK4
SCHEMBL545438 0.92 BRAF (1.00) BRAFRAF1KDRPLK4AURKA
SCHEMBL546019 0.92 BRAF (1.00) BRAFRAF1KDRPLK4AURKA
SCHEMBL10200840 0.90 BRAF (0.80) BRAFRAF1DDR2KDRPLK4
SCHEMBL544442 0.90 BRAF (0.89) BRAFRAF1KDRPLK4AURKA
SCHEMBL545247 0.89 BRAF (0.78) BRAFRAF1DDR2KDRPLK4

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 6 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-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
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
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 WO 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 198/4885DDR2 1545/4885

“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.