SCHEMBL2890073

SCHEMBL2890073

Nc1ccc(OCCCC2CCNC2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.47
SLC6A4 P31645 6/20 0.47
SLC6A3 Q01959 3/20 0.47
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
PRKCZ Q05513 1/20 0.40
HTR3A P46098 2/20 0.40
KCNH2 Q12809 2/20 0.40
NPY1R P25929 5/20 0.38
NFE2L2 Q16236 1/20 0.36
NR4A1 P22736 1/20 0.36
CHEK1 O14757 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
SCHEMBL11718730 0.92 NR4A1 (0.42) SLC6A2SLC6A4SLC6A3ITGB3ITGA2B
SCHEMBL11716570 0.92 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ITGB3ITGA2B
SCHEMBL11714583 0.89 ITGB3 (0.45) SLC6A2SLC6A4SLC6A3ITGB3ITGA2B
SCHEMBL11720395 0.88 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ITGB3ITGA2B
SCHEMBL11717587 0.86 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ITGB3ITGA2B
SCHEMBL11719066 0.85 NPY1R (0.43) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL11715827 0.85 NPY1R (0.43) NPY1RNFE2L2NR4A1
SCHEMBL11713284 0.84 ITGB3 (0.44) SLC6A2SLC6A4ITGB3ITGA2B
SCHEMBL11715794 0.84 NPY1R (0.42) NPY1RNR4A1
SCHEMBL11711871 0.84 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ITGB3ITGA2B

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 14 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
EP-1675584-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-05 EP 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
WO-2005032548-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-14 WO disclosed
EP-1499311-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS Chiron Corporation (US) 2005-01-26 EP disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 US disclosed
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-05-06 US disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 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 (5 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 SLC6A2 4724/4885SLC6A4 4418/4885SLC6A3 3904/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF SLC6A2 4754/4885SLC6A4 4415/4885SLC6A3 4148/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF SLC6A2 4724/4885SLC6A4 4418/4885SLC6A3 3904/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF SLC6A2 4754/4885SLC6A4 4415/4885SLC6A3 4148/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF SLC6A2 4754/4885SLC6A4 4415/4885SLC6A3 4148/4885

“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.