SCHEMBL2886160

SCHEMBL2886160

COc1cccc(Nc2nc3cc(Oc4ccnc(N(C)C=O)c4)ccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAF1 P04049 8/20 0.44
BRAF P15056 7/20 0.44
ERBB2 P04626 1/20 0.40
PTK6 Q13882 1/20 0.40
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
ROCK1 Q13464 1/20 0.38
GRM4 Q14833 1/20 0.38
KDR P35968 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
PDE9A O76083 1/20 0.37
AURKA O14965 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL2886898 0.92 RAF1 (0.41) MAPTMEN1KMT2ARAF1BRAF
SCHEMBL2895292 0.88 KDR (0.41) RAF1BRAFEGFRKDRNPC1
SCHEMBL2892554 0.86 KDM4E (0.41) MAPTMEN1KMT2ARAF1BRAF
SCHEMBL2892408 0.86 NPC1 (0.51) MAPTMEN1KMT2ARAF1BRAF
SCHEMBL2892203 0.85 KDR (0.46) RAF1BRAFKDR
SCHEMBL2892127 0.84 RAF1 (0.41) RAF1BRAFKDR
SCHEMBL2891627 0.83 RAF1 (0.43) RAF1BRAFKDR
SCHEMBL2894262 0.82 BRAF (0.48) RAF1BRAFPTK6ABL1KDR
SCHEMBL4367608 0.82 MAPT (0.52) MAPTMEN1KMT2ARAF1BRAF
SCHEMBL2893799 0.81 RAF1 (0.44) MAPTMEN1KMT2ARAF1BRAF

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-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-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-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 (3 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-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF MAPT 3948/4885MEN1 1815/4885KMT2A 1400/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF MAPT 3981/4885MEN1 1472/4885KMT2A 1162/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF MAPT 3981/4885MEN1 1472/4885KMT2A 1162/4885

“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.