SCHEMBL2886481

SCHEMBL2886481

CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(C(=O)N4C[C@H](CN(C)C)OC[C@@H]4C)cc2)n3C)ccn1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 19/20 0.59
BRAF P15056 18/20 0.59
KDR P35968 2/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
PDGFRB P09619 1/20 0.52
KIT P10721 1/20 0.52
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52

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
SCHEMBL13290344 1.00 RAF1 (0.59) RAF1BRAFKDRLCKFYN
SCHEMBL2886478 1.00 RAF1 (0.59) RAF1BRAFKDRLCKFYN
SCHEMBL3838241 0.92 RAF1 (0.58) RAF1BRAFKDRLCKFYN
SCHEMBL13290600 0.88 BRAF (0.53) RAF1BRAFKDRLCKFYN
SCHEMBL3009345 0.88 BRAF (0.53) RAF1BRAFKDR
SCHEMBL13559486 0.88 BRAF (0.53) RAF1BRAFKDRLCKFYN
SCHEMBL3845800 0.88 BRAF (0.53) RAF1BRAFKDRLCKFYN
SCHEMBL3021405 0.88 BRAF (0.53) RAF1BRAFKDR
SCHEMBL2891667 0.88 BRAF (0.53) RAF1BRAFKDRLCKFYN
SCHEMBL13290610 0.88 BRAF (0.53) RAF1BRAFKDRLCKFYN

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-8614330-B2 Substituted benz-azoles and methods of their use as inhibitors of RAF kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-12-24 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-08-05 US disclosed
US-7728010-B2 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-06-01 US disclosed
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2007-12-27 US disclosed
US-7071216-B2 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2006-07-04 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-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885KDR 891/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885KDR 891/4885

“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.