SCHEMBL2890879

SCHEMBL2890879

COc1cc([N+](=O)[O-])ccc1Nc1nc2cc(Oc3ccnc(N(C)C=O)c3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.41
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 3/20 0.40
GAA P10253 2/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
CSNK1D P48730 2/20 0.36
CSNK1G2 P78368 2/20 0.36
DYRK3 O43781 1/20 0.36
ABL1 P00519 1/20 0.36
CDK1 P06493 1/20 0.36
CSF1R P07333 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PHKG2 P15735 1/20 0.36
CDK2 P24941 1/20 0.36
MARK3 P27448 1/20 0.36
FLT4 P35916 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
SCHEMBL2892408 0.86 NPC1 (0.51) RAF1KMT2ALMNAMAPTALDH1A1
SCHEMBL2890489 0.85 HDAC11 (0.37) RAF1KMT2ALMNAMAPTKDR
SCHEMBL2892554 0.84 KDM4E (0.41) RAF1KMT2ALMNAMAPTALDH1A1
SCHEMBL2894090 0.83 KMT2A (0.40) RAF1KMT2ALMNAMAPTKDR
SCHEMBL2890890 0.82 BRAF (0.41) RAF1KMT2ALMNAMAPTALDH1A1
SCHEMBL2891717 0.82 RAF1 (0.55) RAF1KDRBRAF
SCHEMBL2895292 0.81 KDR (0.41) RAF1KDRNPC1RAB9ATP53
SCHEMBL2890884 0.80 RAF1 (0.46) RAF1KMT2ALMNAMAPTALDH1A1
SCHEMBL2886898 0.80 RAF1 (0.41) RAF1KMT2ALMNAMAPTABL1
SCHEMBL2890363 0.79 RAF1 (0.43) RAF1KDRBRAFMAPK1

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 2/4885KMT2A 1400/4885LMNA 3011/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF RAF1 2/4885KMT2A 1162/4885LMNA 2967/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF RAF1 2/4885KMT2A 1162/4885LMNA 2967/4885

“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.