SCHEMBL2383752

SCHEMBL2383752

COc1ccccc1CNC(=N)Nc1nc(-c2ccc3ccccc3c2)cs1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.59
ROCK1 Q13464 2/20 0.59
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
CSNK2A1 P68400 1/20 0.50
AR P10275 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
GSTO1 P78417 1/20 0.48
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PAX8 Q06710 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
SCHEMBL2382861 0.90 RAB9A (0.54) ROCK2ROCK1MEN1KMT2ARAB9A
SCHEMBL2380781 0.89 ROCK2 (0.67) ROCK2ROCK1MEN1KMT2ARAB9A
SCHEMBL2380669 0.87 ROCK2 (0.63) ROCK2ROCK1MEN1KMT2A
SCHEMBL2380675 0.87 ROCK1 (0.77) ROCK2ROCK1MEN1KMT2A
SCHEMBL2380448 0.86 ROCK2 (0.57) ROCK2ROCK1MEN1KMT2ARAB9A
SCHEMBL2380502 0.86 MEN1 (0.58) ROCK2ROCK1MEN1KMT2ARAB9A
SCHEMBL2380481 0.85 ROCK1 (0.58) ROCK2ROCK1MEN1KMT2ARAB9A
SCHEMBL2381510 0.83 ROCK2 (0.66) ROCK2ROCK1MEN1KMT2ARAB9A
SCHEMBL2379289 0.82 ROCK2 (0.56) ROCK2ROCK1MEN1KMT2ARAB9A
SCHEMBL2381251 0.82 ROCK1 (0.59) ROCK2ROCK1MEN1KMT2AALDH1A1

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 10 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-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 1270/4885MEN1 3513/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 ROCK2 2141/4885ROCK1 1379/4885MEN1 3516/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 ROCK2 2018/4885ROCK1 1270/4885MEN1 3513/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 ROCK2 2018/4885ROCK1 1270/4885MEN1 3513/4885

“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.