SCHEMBL2886905

SCHEMBL2886905

COc1cc(Nc2nc3cc(Oc4ccnc(CC(N)=O)c4)ccc3[nH]2)cc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.44
BRAF P15056 10/20 0.44
ABL1 P00519 1/20 0.40
KDR P35968 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
ZAP70 P43403 1/20 0.37
KARS1 Q15046 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
SCHEMBL2886163 0.92 RAF1 (0.47) RAF1BRAFABL1KDRMAPT
SCHEMBL2895296 0.89 RAF1 (0.44) RAF1BRAFKDRRAB9ASMN1; SMN2
SCHEMBL2892130 0.88 RAF1 (0.43) RAF1BRAFKDRRAB9ANPC1
SCHEMBL2892412 0.86 NPC1 (0.50) RAF1BRAFKDRMAPTMEN1
SCHEMBL2892561 0.86 SMN1; SMN2 (0.45) RAF1BRAFABL1MAPTMEN1
SCHEMBL2891631 0.86 RAF1 (0.47) RAF1BRAFKDR
SCHEMBL2894263 0.85 RAF1 (0.50) RAF1BRAFKDR
SCHEMBL2892204 0.84 RAF1 (0.47) RAF1BRAFKDR
SCHEMBL2894094 0.83 RAF1 (0.40) RAF1BRAFMAPTMEN1KMT2A
SCHEMBL2890490 0.83 HDAC11 (0.40) RAF1BRAFKDRMAPTRAB9A

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 8 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
EP-1499311-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-11-04 EP 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 RAF1 2/4885BRAF 1/4885ABL1 97/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885ABL1 63/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885ABL1 63/4885

“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.