SCHEMBL2380592

SCHEMBL2380592

COc1cccc(OC)c1CNC(=N)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.53
ROCK1 Q13464 2/20 0.53
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
APP P05067 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL2443677 0.98 NPC1 (0.54) ROCK2ROCK1NPC1CASP3RAB9A
Bromide SCHEMBL2380827 0.97 NPC1 (0.53) ROCK2ROCK1NPC1CASP3RAB9A
SCHEMBL2380171 0.93 MEN1 (0.52) ROCK2ROCK1NPC1CASP3RAB9A
SCHEMBL2381416 0.93 ROCK2 (0.49) ROCK2ROCK1NPC1CASP3RAB9A
SCHEMBL2379696 0.92 ROCK1 (0.60) ROCK2ROCK1MEN1KMT2AALDH1A1
SCHEMBL2382007 0.91 KMT2A (0.49) ROCK2ROCK1NPC1RAB9AMEN1
SCHEMBL2381307 0.91 ROCK2 (0.49) ROCK2ROCK1NPC1RAB9AMEN1
SCHEMBL2379112 0.91 RAB9A (0.53) ROCK2ROCK1NPC1CASP3RAB9A
SCHEMBL2379292 0.90 ALOX5 (0.55) ROCK2ROCK1NPC1RAB9AMEN1
SCHEMBL2448760 0.90 ROCK2 (0.45) ROCK2ROCK1NPC1CASP3RAB9A

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 1270/4885NPC1 2968/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 ROCK2 2141/4885ROCK1 1379/4885NPC1 3179/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 ROCK2 2018/4885ROCK1 1270/4885NPC1 2968/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 ROCK2 2018/4885ROCK1 1270/4885NPC1 2968/4885

“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.