SCHEMBL2894094

SCHEMBL2894094

COc1ccc(C)cc1Nc1nc2cc(Oc3ccnc(CC(N)=O)c3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.40
BRAF P15056 8/20 0.40
ROCK2 O75116 1/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNH2 Q12809 1/20 0.37
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL2892561 0.93 SMN1; SMN2 (0.45) RAF1BRAFLMNAKMT2ASMN1; SMN2
SCHEMBL2892412 0.90 NPC1 (0.50) RAF1BRAFLMNAKMT2ASMN1; SMN2
SCHEMBL2890490 0.87 HDAC11 (0.40) RAF1BRAFLMNASMN1; SMN2KDM4E
SCHEMBL2895296 0.87 RAF1 (0.44) RAF1BRAFSMN1; SMN2TP53RAB9A
SCHEMBL2886905 0.83 RAF1 (0.44) RAF1BRAFLMNAKMT2ASMN1; SMN2
SCHEMBL2890884 0.83 RAF1 (0.46) RAF1LMNAKMT2ASMN1; SMN2PKM
SCHEMBL13209759 0.83 RAF1 (0.59) RAF1BRAF
SCHEMBL2886521 0.82 BRAF (0.47) RAF1BRAFLMNASMN1; SMN2TP53
SCHEMBL2886163 0.81 RAF1 (0.47) RAF1BRAFKMT2ASMN1; SMN2PKM
SCHEMBL2893800 0.81 RAF1 (0.46) RAF1BRAFLMNAKMT2ASMN1; SMN2

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 1/4885ROCK2 543/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885ROCK2 507/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885ROCK2 507/4885

“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.