SCHEMBL6702383

SCHEMBL6702383

CC(C)c1cccc(Nc2nc3cc(Oc4ccnc(-c5ncc[nH]5)c4)ccc3n2C)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.76
CYP3A4 P08684 5/20 0.76
LCK P06239 5/20 0.76
FYN P06241 5/20 0.76
PDGFRB P09619 5/20 0.76
KIT P10721 5/20 0.76
FLT1 P17948 5/20 0.76
FLT4 P35916 5/20 0.76
KDR P35968 5/20 0.76
RAF1 P04049 6/20 0.51
SRC P12931 2/20 0.51
STK25 O00506 1/20 0.51
CIT O14578 1/20 0.51
EPHB6 O15197 1/20 0.51
MAP3K7 O43318 1/20 0.51
RIPK2 O43353 1/20 0.51
PAK3 O75914 1/20 0.51
STK10 O94804 1/20 0.51
MAP4K4 O95819 1/20 0.51
ABL1 P00519 1/20 0.51

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
SCHEMBL11993623 0.88 BRAF (0.79) BRAFCYP3A4LCKFYNPDGFRB
SCHEMBL2892771 0.87 BRAF (0.62) BRAFCYP3A4LCKFYNPDGFRB
SCHEMBL6703271 0.86 BRAF (1.00) BRAFCYP3A4LCKFYNPDGFRB
SCHEMBL13211391 0.84 BRAF (0.73) BRAFCYP3A4LCKFYNPDGFRB
SCHEMBL4334430 0.83 BRAF (0.73) BRAFCYP3A4LCKFYNPDGFRB
SCHEMBL13211229 0.82 BRAF (0.72) BRAFCYP3A4LCKFYNPDGFRB
SCHEMBL13559585 0.81 BRAF (0.68) BRAFCYP3A4LCKFYNPDGFRB
SCHEMBL13559544 0.80 BRAF (0.69) BRAFCYP3A4LCKFYNPDGFRB
SCHEMBL6699757 0.80 BRAF (0.69) BRAFCYP3A4LCKFYNPDGFRB
SCHEMBL6699752 0.80 BRAF (0.69) BRAFCYP3A4LCKFYNPDGFRB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 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 (2 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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF BRAF 1/4885CYP3A4 1457/4885LCK 250/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF BRAF 1/4885CYP3A4 1457/4885LCK 250/4885

“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.