SCHEMBL9979938

SCHEMBL9979938

CC(C)(C)OC(=O)c1cc(Oc2ccc(N)c(N=O)c2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.38
EPHX2 P34913 2/20 0.38
BRAF P15056 7/20 0.36
KDR P35968 5/20 0.36
GABRA1 P14867 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA5 P31644 4/20 0.35
GABRA3 P34903 4/20 0.35
GABRA2 P47869 4/20 0.35
GABRA4 P48169 3/20 0.35
GABRA6 Q16445 3/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRE P78334 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35

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
SCHEMBL12329785 0.87 NR4A1 (0.45) RAF1EPHX2BRAFKDRGABRA1
SCHEMBL9979939 0.84 RAF1 (0.41) RAF1EPHX2BRAFKDRMAPK14
SCHEMBL2028320 0.83 MAPK14 (0.43) RAF1EPHX2BRAFKDRGABRA1
SCHEMBL4202008 0.83 RAF1 (0.44) RAF1EPHX2BRAFKDRGABRA1
SCHEMBL13230560 0.81 KDR (0.56) RAF1EPHX2BRAFKDRMAPK14
SCHEMBL2886711 0.80 MAPT (0.40) RAF1EPHX2BRAFKDR
SCHEMBL2892341 0.79 RAF1 (0.42) RAF1EPHX2BRAFKDRMAPK14
SCHEMBL12852960 0.74 RAF1 (0.54) RAF1EPHX2BRAFKDRMAPK14
SCHEMBL3882564 0.72 GABRG2 (0.45) RAF1EPHX2GABRA1GABRG2GABRB3
SCHEMBL545151 0.72 KDM4E (0.45) RAF1EPHX2BRAFKDR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120308651-A1 SALTS OF BENZIMIDAZOLYL PYRIDYL ETHERS AND FORMULATIONS THEREOF NOVARTIS AG 2012-12-06 US disclosed
US-8324389-B2 Solid forms of a Raf kinase inhibitor NOVARTIS AG (CH) 2012-12-04 US disclosed
US-8202998-B2 Salts of benzimidazolyl pyridyl ethers and formulations thereof NOVARTIS AG (CH) 2012-06-19 US disclosed
US-20100256375-A1 SUBSTITUTED BENZIMIDAZOLES AND METHODS OF PREPARATION NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-10-07 US disclosed
US-20100234394-A1 SUBSTITUTED BENZIMIDAZOLES AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-09-16 US disclosed
US-20100209418-A1 Solid Forms of a Raf Kinase Inhibitor NOVARTIS AG (CH) 2010-08-19 US disclosed
US-7767820-B2 Substituted benzimidazoles and methods of preparation NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-08-03 US disclosed
US-20100168060-A1 SALTS OF BENZIMIDAZOLYL PYRIDYL ETHERS AND FORMULATIONS THEREOF NOVARTIS AG (CH) 2010-07-01 US disclosed
US-7732465-B2 Substituted benzimidazoles and methods of their use NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-06-08 US disclosed
US-20100040677-A1 FORMULATIONS FOR BENZIMIDAZOLYL PYRIDYL ETHERS NOVARTIS AG (CH) 2010-02-18 US disclosed
US-20090170904-A1 Substituted benzimidazoles and methods of their use NOVARTIS AG 2009-07-02 US disclosed
US-20080287682-A1 Substituted benzimidazoles and methods of preparation NOVARTIS AG 2008-11-20 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 (8 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-20100256375-A1 SUBSTITUTED BENZIMIDAZOLES AND METHODS OF PREPARATION ABL1, CDK2, KIT RAF1 73/4885EPHX2 2695/4885BRAF 29/4885
US-20120308651-A1 SALTS OF BENZIMIDAZOLYL PYRIDYL ETHERS AND FORMULATIONS THEREOF PIR, BRD8, PHOSPHO1 RAF1 874/4885EPHX2 2759/4885BRAF 542/4885
US-20100209418-A1 Solid Forms of a Raf Kinase Inhibitor BRAF, RAF1, ARAF RAF1 2/4885EPHX2 3225/4885BRAF 1/4885
US-20100040677-A1 FORMULATIONS FOR BENZIMIDAZOLYL PYRIDYL ETHERS PIR, TP53RK, ALK RAF1 636/4885EPHX2 2076/4885BRAF 174/4885
US-20100234394-A1 SUBSTITUTED BENZIMIDAZOLES AND METHODS OF THEIR USE BRAF, DSTYK, CHEK2 RAF1 57/4885EPHX2 4169/4885BRAF 1/4885
US-20100168060-A1 SALTS OF BENZIMIDAZOLYL PYRIDYL ETHERS AND FORMULATIONS THEREOF PIR, BRD8, PHOSPHO1 RAF1 874/4885EPHX2 2759/4885BRAF 542/4885
US-20090170904-A1 Substituted benzimidazoles and methods of their use BRAF, DSTYK, CHEK2 RAF1 57/4885EPHX2 4169/4885BRAF 1/4885
US-20080287682-A1 Substituted benzimidazoles and methods of preparation ABL1, CDK2, KIT RAF1 73/4885EPHX2 2695/4885BRAF 29/4885

“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.