SCHEMBL2379289

SCHEMBL2379289

COc1ccc(F)cc1CNC(=N)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.56
ROCK1 Q13464 4/20 0.56
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
RECQL P46063 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ELOVL1 Q9BW60 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
APP P05067 1/20 0.45
ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL2380781 0.91 ROCK2 (0.67) ROCK2ROCK1MEN1KMT2AMAPK1
SCHEMBL2380448 0.90 ROCK2 (0.57) ROCK2ROCK1MEN1KMT2AMAPT
SCHEMBL2380807 0.89 ROCK2 (0.51) ROCK2ROCK1MEN1KMT2AMAPT
SCHEMBL2380675 0.85 ROCK1 (0.77) ROCK2ROCK1MEN1KMT2ASMN1; SMN2
SCHEMBL2380592 0.84 ROCK2 (0.53) ROCK2ROCK1MEN1KMT2AMAPT
SCHEMBL2419944 0.84 SMN1; SMN2 (0.48) ROCK2ROCK1MEN1KMT2AMAPT
SCHEMBL2446391 0.84 CYP1A1 (0.50) ROCK2ROCK1MEN1KMT2AMAPK1
SCHEMBL2380171 0.84 MEN1 (0.52) ROCK2ROCK1MEN1KMT2AMAPK1
Bromide SCHEMBL2378134 0.83 CYP1A1 (0.49) ROCK2ROCK1MEN1KMT2AMAPK1
SCHEMBL2380669 0.83 ROCK2 (0.63) ROCK2ROCK1MEN1KMT2AMAPT

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 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.