SCHEMBL3428154

SCHEMBL3428154

CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(C(C)(C)C)c4)cnc3c2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 1.00
RAF1 P04049 10/20 0.69
LCK P06239 2/20 0.69
FYN P06241 2/20 0.69
KDR P35968 2/20 0.69
PDGFRB P09619 1/20 0.69
KIT P10721 1/20 0.69
FLT1 P17948 1/20 0.69
FLT4 P35916 1/20 0.69
PLK4 O00444 1/20 0.54
AURKA O14965 1/20 0.54
MAPK13 O15264 1/20 0.54
JAK2 O60674 1/20 0.54
MAP4K4 O95819 1/20 0.54
ABL1 P00519 1/20 0.54
LYN P07948 1/20 0.54
RET P07949 1/20 0.54
ROS1 P08922 1/20 0.54
SRC P12931 1/20 0.54
RPS6KB1 P23443 1/20 0.54

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
SCHEMBL2893921 0.81 BRAF (1.00) BRAFRAF1LCKFYNKDR
SCHEMBL2892095 0.81 BRAF (0.87) BRAFRAF1LCKFYNKDR
SCHEMBL3426356 0.78 PDGFRB (0.71) BRAFLCKFYNKDRPDGFRB
SCHEMBL5430598 0.76 BRAF (0.68) BRAFRAF1LCKFYNKDR
SCHEMBL3425939 0.76 BRAF (1.00) BRAFRAF1LCKFYNKDR
SCHEMBL26545831 0.75 BRAF (0.66) BRAFRAF1LCKFYNKDR
SCHEMBL3424203 0.74 BRAF (0.57) BRAFPDGFRBTYK2SYKTNNI3K
SCHEMBL3423713 0.74 BRAF (0.76) BRAFRAF1
SCHEMBL3021926 0.74 BRAF (0.87) BRAFRAF1LCKFYNKDR
SCHEMBL2903290 0.74 BRAF (1.00) BRAFRAF1LCKFYNKDR

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-7691866-B2 2,6-disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of Raf kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-04-06 US disclosed
US-7691866-B2 2,6-disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of Raf kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-04-06 US disclosed
US-7691866-B2 2,6-disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of Raf kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-04-06 US disclosed
US-20090317359-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2009-12-24 US disclosed
US-20090317359-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2009-12-24 US disclosed
US-20090317359-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2009-12-24 US disclosed
EP-1680122-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AS INHIBITORS OF RAF KINASE FOR THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2006-07-19 EP disclosed
WO-2005037285-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AS INHIBITORS OF RAF KINASE FOR TREATMENT OF CANCER CHIRON CORPORATION (US) 2005-04-28 WO disclosed
US-20050085482-A1 2,6-Disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of RAF kinase CHIRON CORPORATION (US) 2005-04-21 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-20050085482-A1 2,6-Disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of RAF kinase RAF1, BRAF, ARAF BRAF 2/4885RAF1 1/4885LCK 415/4885
US-20090317359-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE RAF1, BRAF, ARAF BRAF 2/4885RAF1 1/4885LCK 415/4885

“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.