SCHEMBL2379946

SCHEMBL2379946

COc1ccccc1CNC(=N)Nc1nc(-c2ccccn2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.58
ROCK1 Q13464 2/20 0.58
ADORA3 P0DMS8 4/20 0.52
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
OPRK1 P41145 1/20 0.50
CASP3 P42574 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL2379671 0.90 L3MBTL1 (0.53) ROCK2ROCK1ADORA3ALDH1A1L3MBTL1
SCHEMBL2380675 0.86 ROCK1 (0.77) ROCK2ROCK1MEN1KMT2ASMN1; SMN2
SCHEMBL2378530 0.86 L3MBTL1 (0.49) ADORA3ALDH1A1L3MBTL1MAPTRAB9A
SCHEMBL2380781 0.86 ROCK2 (0.67) ROCK2ROCK1ADORA3RAB9AMEN1
SCHEMBL2379297 0.85 L3MBTL1 (0.48) ADORA3ALDH1A1L3MBTL1MAPTRAB9A
SCHEMBL2379753 0.83 ROCK2 (0.56) ROCK2ROCK1ALDH1A1MAPTMEN1
SCHEMBL2381510 0.83 ROCK2 (0.66) ROCK2ROCK1ALDH1A1L3MBTL1MAPT
SCHEMBL2379447 0.82 ROCK2 (0.55) ROCK2ROCK1ALDH1A1MAPTRAB9A
SCHEMBL2380669 0.82 ROCK2 (0.63) ROCK2ROCK1MAPTMEN1KMT2A
SCHEMBL2379519 0.82 POLB (0.55) ROCK2ROCK1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2017-02-09 US disclosed
US-9475782-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-25 US disclosed
EP-1716127-B1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT LABORATORIES (US) 2013-12-05 US disclosed
US-8481576-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-07-09 US disclosed
US-8431604-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-04-30 US disclosed
EP-2380885-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-10-26 EP disclosed
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-09-29 US disclosed
EP-2366392-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
EP-2366697-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-12-27 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 (4 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-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 ROCK2 2018/4885ROCK1 1270/4885ADORA3 128/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 ROCK2 2141/4885ROCK1 1379/4885ADORA3 170/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 ROCK2 2018/4885ROCK1 1270/4885ADORA3 128/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 ROCK2 2018/4885ROCK1 1270/4885ADORA3 128/4885

“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.