SCHEMBL2380068

SCHEMBL2380068

COc1cccc(OC)c1CNC(=N)Nc1nc(C2CCCN2)cs1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ROCK2 O75116 3/20 0.36
ROCK1 Q13464 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TACR1 P25103 4/20 0.35
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
HSD11B1 P28845 1/20 0.33
PAX8 Q06710 1/20 0.33

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
Hydrochloric Acid SCHEMBL2378935 0.99 PDCD1LG2 (0.36) PDCD1LG2CD274ROCK2ROCK1MEN1
SCHEMBL2422694 0.85 TMIGD3 (0.40) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL2379691 0.85 RORC (0.43) ROCK2ROCK1NPC1RAB9A
Hydrochloric Acid SCHEMBL2381590 0.85 TMIGD3 (0.39) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL2380071 0.81 TRPV1 (0.38) ROCK2ROCK1NPC1RAB9A
SCHEMBL2378852 0.79 TRPV1 (0.36) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL2380231 0.79 TRPV1 (0.43) ROCK2ROCK1MEN1KMT2A
SCHEMBL2380075 0.79 ATP4A (0.40) PDCD1LG2CD274ROCK2MEN1KMT2A
SCHEMBL2425173 0.78 TRPV1 (0.42) ROCK2ROCK1MEN1KMT2A
SCHEMBL2380469 0.78 ROCK2 (0.45) ROCK2ROCK1MEN1KMT2ANPC1

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 13 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
EP-1716127-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2006-11-02 EP disclosed
WO-2005082871-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2005-09-09 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 (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 PDCD1LG2 3410/4885CD274 3378/4885ROCK2 2018/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 PDCD1LG2 3436/4885CD274 3659/4885ROCK2 2141/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 PDCD1LG2 3410/4885CD274 3378/4885ROCK2 2018/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 PDCD1LG2 3410/4885CD274 3378/4885ROCK2 2018/4885

“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.