SCHEMBL4333046

SCHEMBL4333046

CNc1ccc(Oc2ccnc(NC(=O)NCCN3CCOCC3)c2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.46
MAPK14 Q16539 7/20 0.46
SRC P12931 6/20 0.46
SYK P43405 6/20 0.46
GSK3A P49840 6/20 0.46
RAF1 P04049 4/20 0.45
CNR1 P21554 1/20 0.42
BRAF P15056 2/20 0.42
MAP2K1 Q02750 2/20 0.42
SHMT2 P34897 1/20 0.42
GCK P35557 1/20 0.41

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
SCHEMBL4320458 0.87 LMNA (0.46) MAPK1LMNASMN1; SMN2KMT2AMAPK14
SCHEMBL4328411 0.86 CHRNA3 (0.47) MAPK1MAPK14
SCHEMBL4333183 0.81 CA12 (0.48) MAPK1LMNASMN1; SMN2KMT2ARAF1
SCHEMBL2551805 0.81 SMN1; SMN2 (0.47) MAPK1LMNASMN1; SMN2KMT2AMAPK14
SCHEMBL13788545 0.77 MEN1 (0.45) KMT2AMAPK14BRAFGCK
SCHEMBL5101987 0.77 MAPK1 (0.48) MAPK1RAF1BRAF
SCHEMBL13788616 0.76 MEN1 (0.46) SMN1; SMN2KMT2ABRAFGCK
SCHEMBL4327777 0.76 BRAF (0.51) BRAF
SCHEMBL4328717 0.75 WNT1 (0.48) MAPK14BRAF
SCHEMBL4326000 0.75 MAPK14 (0.53) MAPK14BRAFGCK

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 MAPK1 100/4885LMNA 3081/4885SMN1; SMN2 3544/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF MAPK1 100/4885LMNA 3081/4885SMN1; SMN2 3544/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF MAPK1 100/4885LMNA 3081/4885SMN1; SMN2 3544/4885

“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.