SCHEMBL2379696

SCHEMBL2379696

COc1cccc(OC)c1CNC(=N)Nc1nc(-c2ccncc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 16/20 0.60
ROCK2 O75116 13/20 0.60
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 2/20 0.50
THRB P10828 1/20 0.50
CYP3A4 P08684 1/20 0.50
PRKACA P17612 1/20 0.50
SGK1 O00141 1/20 0.48
AKT1 P31749 1/20 0.48
GSK3B P49841 1/20 0.48
LIMK1 P53667 1/20 0.48
TNK2 Q07912 1/20 0.48
DMPK Q09013 1/20 0.48
MYLK Q15746 1/20 0.48
CDC42BPA Q5VT25 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
SCHEMBL2380592 0.92 ROCK2 (0.53) ROCK1ROCK2MAPTMEN1KMT2A
SCHEMBL2382007 0.90 KMT2A (0.49) ROCK1ROCK2MAPTMEN1KMT2A
SCHEMBL2381307 0.90 ROCK2 (0.49) ROCK1ROCK2MEN1KMT2AALDH1A1
SCHEMBL2379112 0.90 RAB9A (0.53) ROCK1ROCK2MAPTMEN1KMT2A
SCHEMBL2443677 0.90 NPC1 (0.54) ROCK1ROCK2MEN1KMT2AALDH1A1
SCHEMBL2443879 0.90 RAB9A (0.57) ROCK1ROCK2MAPTMEN1KMT2A
Bromide SCHEMBL2380827 0.89 NPC1 (0.53) ROCK1ROCK2MEN1KMT2AALDH1A1
SCHEMBL2379292 0.89 ALOX5 (0.55) ROCK1ROCK2MAPTMEN1KMT2A
SCHEMBL2380433 0.89 ROCK2 (0.48) ROCK1ROCK2MAPTMEN1KMT2A
SCHEMBL2380675 0.88 ROCK1 (0.77) ROCK1ROCK2MEN1KMT2APRKACA

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 ROCK1 1270/4885ROCK2 2018/4885MAPT 72/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 ROCK1 1379/4885ROCK2 2141/4885MAPT 73/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 ROCK1 1270/4885ROCK2 2018/4885MAPT 72/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 ROCK1 1270/4885ROCK2 2018/4885MAPT 72/4885

“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.