SCHEMBL545714

SCHEMBL545714

CC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(N)c4)cc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
RAF1 P04049 6/20 0.51
BRAF P15056 13/20 0.51
HDAC3 O15379 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
MAPK14 Q16539 1/20 0.47
PLAU P00749 1/20 0.46
KDR P35968 4/20 0.46
FLT1 P17948 3/20 0.46
FLT4 P35916 3/20 0.46
LCK P06239 2/20 0.46
FYN P06241 2/20 0.46
PDGFRB P09619 2/20 0.46
KIT P10721 2/20 0.46
SRC P12931 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 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
SCHEMBL5426546 0.88 BRAF (0.49) MAPTRAF1BRAFHDAC3HDAC8
SCHEMBL545643 0.87 BRAF (0.54) RAF1BRAFHDAC3HDAC8HDAC6
SCHEMBL4643326 0.87 BRAF (0.54) RAF1BRAFHDAC3HDAC8HDAC6
SCHEMBL5435294 0.87 BRAF (0.49) MAPTRAF1BRAFHDAC3HDAC8
SCHEMBL5423590 0.87 BRAF (0.62) RAF1BRAFHDAC3HDAC8HDAC6
SCHEMBL5430598 0.87 BRAF (0.68) RAF1BRAFMAPK14KDRFLT1
SCHEMBL544977 0.84 BRAF (0.51) RAF1BRAFHDAC3HDAC8HDAC6
SCHEMBL10200809 0.84 BRAF (0.51) RAF1BRAFHDAC3HDAC8HDAC6
SCHEMBL545264 0.84 BRAF (0.51) RAF1BRAFHDAC3HDAC8HDAC6
SCHEMBL545734 0.84 BRAF (0.47) RAF1BRAFHDAC3HDAC8HDAC6

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 9 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-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
EP-1957460-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-08-20 EP 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
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
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 KDM4E 1104/4885MAPT 2178/4885RAF1 198/4885

“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.