SCHEMBL2887644

SCHEMBL2887644

O=C(c1[c]cccc1)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 17/20 0.62
L3MBTL1 Q9Y468 15/20 0.62
TP53BP1 Q12888 4/20 0.62
MBTD1 Q05BQ5 7/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
L3MBTL4 Q8NA19 2/20 0.57
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL1642860 0.85 HPGD (0.55) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL969710 0.83 HPGD (0.52) MEN1KMT2AALDH1A1
SCHEMBL1115239 0.80 HPGD (0.47) MEN1KMT2AALDH1A1
SCHEMBL1921739 0.80 L3MBTL1 (0.43) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL28291394 0.80 CHRM2 (0.42) L3MBTL3L3MBTL1TP53BP1MEN1KMT2A
SCHEMBL4352484 0.80 ACHE (0.59) KMT2AKDM4EALDH1A1
SCHEMBL4993828 0.78 CYP1A2 (0.53) L3MBTL3L3MBTL1TP53BP1MBTD1MEN1
SCHEMBL27804524 0.77 LMNA (0.56) MEN1KMT2AALDH1A1
SCHEMBL27669216 0.77 L3MBTL3 (0.94) L3MBTL3L3MBTL1TP53BP1MBTD1MEN1
SCHEMBL10293557 0.76 L3MBTL3 (1.00) L3MBTL3L3MBTL1TP53BP1MBTD1MEN1

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 35 patents — showing the first 20. 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
US-7691866-B2 2,6-disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of Raf kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-04-06 US claimed
EP-1499311-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-11-04 EP claimed
EP-1682126-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-01 EP claimed
US-7423150-B2 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2008-09-09 US claimed
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2007-12-27 US claimed
EP-1680122-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AS INHIBITORS OF RAF KINASE FOR THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2006-07-19 EP claimed
US-7071216-B2 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2006-07-04 US claimed
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2005-09-01 US claimed
WO-2005037285-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AS INHIBITORS OF RAF KINASE FOR TREATMENT OF CANCER CHIRON CORPORATION (US) 2005-04-28 WO claimed
US-20050085482-A1 2,6-Disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of RAF kinase CHIRON CORPORATION (US) 2005-04-21 US claimed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 US claimed
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-05-06 US claimed
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US disclosed
WO-2005032548-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-14 WO disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 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 (8 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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF L3MBTL3 1879/4885L3MBTL1 1929/4885TP53BP1 960/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF L3MBTL3 2394/4885L3MBTL1 2178/4885TP53BP1 1030/4885
US-20050085482-A1 2,6-Disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of RAF kinase RAF1, BRAF, ARAF L3MBTL3 1971/4885L3MBTL1 2121/4885TP53BP1 557/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF L3MBTL3 1879/4885L3MBTL1 1929/4885TP53BP1 960/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF L3MBTL3 2394/4885L3MBTL1 2178/4885TP53BP1 1030/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF L3MBTL3 2394/4885L3MBTL1 2178/4885TP53BP1 1030/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF L3MBTL3 1175/4885L3MBTL1 1271/4885TP53BP1 809/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF L3MBTL3 1175/4885L3MBTL1 1271/4885TP53BP1 809/4885

“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.