SCHEMBL3424203

SCHEMBL3424203

CC(C)(C)c1cccc(Nc2cnc3cc(O)ccc3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.57
PDGFRB P09619 6/20 0.47
PDGFRA P16234 6/20 0.47
ABCG2 Q9UNQ0 2/20 0.44
RHOA P61586 3/20 0.43
EGFR P00533 1/20 0.42
TNNI3K Q59H18 1/20 0.42
TYK2 P29597 1/20 0.41
PDE4D Q08499 1/20 0.41
SYK P43405 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GRM4 Q14833 1/20 0.39

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
SCHEMBL3426356 0.83 PDGFRB (0.71) BRAFPDGFRBPDGFRAABCG2EGFR
SCHEMBL1401437 0.81 PDGFRB (0.68) BRAFPDGFRBPDGFRAABCG2RHOA
SCHEMBL11272822 0.75 PDGFRB (0.56) PDGFRBPDGFRAABCG2RHOASYK
SCHEMBL3428154 0.74 BRAF (1.00) BRAFPDGFRBTNNI3KTYK2SYK
SCHEMBL4332136 0.72 RAF1 (0.58) BRAFABCG2
SCHEMBL7697641 0.70 AURKA (0.54) PDGFRBPDGFRAABCG2EGFR
SCHEMBL31343895 0.70 PDGFRB (0.68) PDGFRBPDGFRAABCG2RHOAEGFR
SCHEMBL29514710 0.69 KIF11 (0.54) ABCG2EGFRTNNI3KHDAC6GRM4
SCHEMBL21625856 0.69 KIF11 (0.54) ABCG2EGFRTNNI3KHDAC6GRM4
SCHEMBL29408383 0.68 GRM4 (0.52) BRAFABCG2EGFRTNNI3KTYK2

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 2/4885PDGFRB 3928/4885PDGFRA 3747/4885
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 2/4885PDGFRB 3928/4885PDGFRA 3747/4885

“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.