SCHEMBL9979939

SCHEMBL9979939

CNc1ccc(Oc2ccnc(C(=O)OC(C)(C)C)c2)cc1N=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.41
EPHX2 P34913 1/20 0.41
KDR P35968 6/20 0.39
ABL1 P00519 2/20 0.38
BRAF P15056 11/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
MAPK13 O15264 1/20 0.38
JAK2 O60674 1/20 0.38
MAP4K4 O95819 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38
ROS1 P08922 1/20 0.38
SRC P12931 1/20 0.38
RPS6KB1 P23443 1/20 0.38
EPHA2 P29317 1/20 0.38
TYK2 P29597 1/20 0.38
AXL P30530 1/20 0.38

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
SCHEMBL9979938 0.84 RAF1 (0.38) RAF1EPHX2KDRABL1BRAF
SCHEMBL2892341 0.84 RAF1 (0.42) RAF1EPHX2KDRABL1BRAF
SCHEMBL13230561 0.84 KDR (0.56) RAF1EPHX2KDRABL1BRAF
SCHEMBL1435646 0.81 HCAR3 (0.43) RAF1EPHX2KDRABL1BRAF
SCHEMBL4202008 0.76 RAF1 (0.44) RAF1EPHX2KDRABL1BRAF
SCHEMBL13559611 0.75 P2RX3 (0.41) RAF1EPHX2KDRBRAFMAPK14
SCHEMBL12329785 0.75 NR4A1 (0.45) RAF1EPHX2KDRABL1BRAF
SCHEMBL12852960 0.74 RAF1 (0.54) RAF1EPHX2KDRABL1BRAF
SCHEMBL13218159 0.74 KDR (0.36) KDRBRAF
SCHEMBL2892469 0.73 RAF1 (0.39) RAF1EPHX2KDRBRAFAXL

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 11 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-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 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-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 (7 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 2695/4885KDR 622/4885
US-20120308651-A1 SALTS OF BENZIMIDAZOLYL PYRIDYL ETHERS AND FORMULATIONS THEREOF PIR, BRD8, PHOSPHO1 RAF1 874/4885EPHX2 2759/4885KDR 2799/4885
US-20100040677-A1 FORMULATIONS FOR BENZIMIDAZOLYL PYRIDYL ETHERS PIR, TP53RK, ALK RAF1 636/4885EPHX2 2076/4885KDR 2198/4885
US-20100234394-A1 SUBSTITUTED BENZIMIDAZOLES AND METHODS OF THEIR USE BRAF, DSTYK, CHEK2 RAF1 57/4885EPHX2 4169/4885KDR 1325/4885
US-20100168060-A1 SALTS OF BENZIMIDAZOLYL PYRIDYL ETHERS AND FORMULATIONS THEREOF PIR, BRD8, PHOSPHO1 RAF1 874/4885EPHX2 2759/4885KDR 2799/4885
US-20090170904-A1 Substituted benzimidazoles and methods of their use BRAF, DSTYK, CHEK2 RAF1 57/4885EPHX2 4169/4885KDR 1325/4885
US-20080287682-A1 Substituted benzimidazoles and methods of preparation ABL1, CDK2, KIT RAF1 73/4885EPHX2 2695/4885KDR 622/4885

“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.