SCHEMBL721339

SCHEMBL721339

Nc1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1)C2

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.58
CLPP Q16740 13/20 0.56
STARD3 Q14849 1/20 0.52
PARP1 P09874 1/20 0.52
TNKS2 Q9H2K2 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
BLM P54132 1/20 0.48
RUNX1 Q01196 1/20 0.48
MCL1 Q07820 1/20 0.48
CBFB Q13951 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL3435800 0.90 CLPP (0.68) CLPPMEN1KMT2A
SCHEMBL3053501 0.85 SLC6A5 (0.58) SLC6A5CLPPSTARD3PARP1TNKS2
SCHEMBL14107496 0.84 SLC6A5 (0.57) SLC6A5CLPPSTARD3PARP1TNKS2
SCHEMBL5226852 0.84 SLC6A5 (0.57) SLC6A5CLPPSTARD3PARP1TNKS2
SCHEMBL4871477 0.82 GAA (0.57) SLC6A5CLPPSTARD3PARP1TNKS2
SCHEMBL4864912 0.81 SLC6A5 (0.54) SLC6A5CLPPSTARD3PARP1TNKS2
SCHEMBL14086093 0.80 SLC6A5 (0.53) SLC6A5CLPPSTARD3PARP1TNKS2
SCHEMBL29888556 0.78 KMT2A (0.55) SLC6A5CLPPPARP1TNKS2PARP2
SCHEMBL10036330 0.78 KMT2A (0.55) SLC6A5CLPPPARP1TNKS2PARP2
SCHEMBL1550311 0.77 KDM4E (0.63) SLC6A5CLPPSTARD3PARP1TNKS2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
EP-1470121-B1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2012-07-11 EP disclosed
EP-1470121-B1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2012-07-11 EP disclosed
US-20120053179-A1 Rho-Kinase Inhibitors NAGARATHNAM DHANAPALAN (US) 2012-03-01 US disclosed
US-20120053179-A1 Rho-Kinase Inhibitors NAGARATHNAM DHANAPALAN (US) 2012-03-01 US disclosed
US-20120053179-A1 Rho-Kinase Inhibitors NAGARATHNAM DHANAPALAN (US) 2012-03-01 US disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
EP-1470122-B1 RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2007-12-19 EP disclosed
EP-1470122-B1 RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2007-12-19 EP disclosed
US-20050209261-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2005-09-22 US disclosed
US-6943172-B2 Rho-kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-13 US disclosed
US-20050192304-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2005-09-01 US disclosed
US-6924290-B2 Rho-kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-08-02 US disclosed
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders BAYER CORPORATION 2004-01-01 US disclosed
US-20040002507-A1 Rho-kinase inhibitors BAYER CORPORATION (US) 2004-01-01 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 (6 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-20040002507-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 SLC6A5 4630/4885CLPP 4205/4885STARD3 2488/4885
US-20120053179-A1 Rho-Kinase Inhibitors CIT, ROCK1, ROCK2 SLC6A5 4630/4885CLPP 4205/4885STARD3 2488/4885
US-20050209261-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 SLC6A5 4630/4885CLPP 4205/4885STARD3 2488/4885
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders CIT, ROCK1, RHOT2 SLC6A5 4199/4885CLPP 4514/4885STARD3 2577/4885
US-20120302587-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 SLC6A5 4630/4885CLPP 4205/4885STARD3 2488/4885
US-20050192304-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 SLC6A5 4630/4885CLPP 4205/4885STARD3 2488/4885

“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.