SCHEMBL4332834

SCHEMBL4332834

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.42
MAPK14 Q16539 9/20 0.41
GCK P35557 2/20 0.39
MAPK13 O15264 3/20 0.37
KDR P35968 5/20 0.37
BRAF P15056 3/20 0.37
AAK1 Q2M2I8 1/20 0.36
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36
P2RX3 P56373 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
SCHEMBL13788546 0.83 ALDH1A1 (0.48) MAPK14GCKMAPK13
SCHEMBL4332392 0.83 MAPK14 (0.41) MAPK14GCKMAPK13KDRBRAF
SCHEMBL13788570 0.80 ALDH1A1 (0.42) MAPK14GCKMAPK13AXLMERTK
SCHEMBL4326000 0.78 MAPK14 (0.53) MAPK14GCKMAPK13BRAF
SCHEMBL4413183 0.77 MEN1 (0.43) MAPK14KDRBRAF
SCHEMBL13788545 0.75 MEN1 (0.45) MAPK14GCKBRAF
SCHEMBL4333723 0.75 KDR (0.40) MAPK14GCKKDRBRAF
SCHEMBL2892341 0.75 RAF1 (0.42) MAPK14MAPK13KDRBRAFAXL
SCHEMBL13788616 0.74 MEN1 (0.46) GCKBRAF
SCHEMBL13788548 0.74 BRAF (0.43) MAPK14KDRBRAF

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-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US disclosed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 US disclosed
EP-1682126-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-01 EP disclosed
US-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase NOVARTIS AG 2009-02-05 US disclosed
US-7423150-B2 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2008-09-09 US disclosed
EP-1682126-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-26 EP disclosed
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2005-09-01 US disclosed
WO-2005037273-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-28 WO 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-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase BRAF, RAF1, ARAF BUB1 315/4885MAPK14 74/4885GCK 358/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF BUB1 315/4885MAPK14 74/4885GCK 358/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF BUB1 315/4885MAPK14 74/4885GCK 358/4885

“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.