SCHEMBL2380751

SCHEMBL2380751

COc1cccc(OC)c1CNC(=N)Nc1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 3/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 3/20 0.49
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 2/20 0.49
ALOX12 P18054 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
RET P07949 1/20 0.44
KDR P35968 1/20 0.44
NPY5R Q15761 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALPL P05186 1/20 0.43

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
SCHEMBL2378901 0.91 ROCK2 (0.48) LMNAMEN1KMT2APKMMAPK1
SCHEMBL2380278 0.91 NPY5R (0.49) LMNAMEN1KMT2APKMMAPK1
SCHEMBL2382849 0.90 KMT2A (0.51) LMNAMEN1KMT2APKMMAPK1
SCHEMBL2381644 0.89 ROCK2 (0.54) LMNAMEN1KMT2APKMMAPK1
SCHEMBL2378981 0.82 ROCK2 (0.52) LMNAMEN1KMT2APKMMAPK1
SCHEMBL2379210 0.82 ROCK2 (0.52) LMNAMEN1KMT2APKMMAPK1
SCHEMBL2383726 0.81 NPY5R (0.53) LMNAMEN1KMT2APKMMAPK1
SCHEMBL2380730 0.81 MAPK14 (0.42) MAPK1ROCK2ROCK1
SCHEMBL2379689 0.79 ROCK2 (0.42) ALDH1A1MAPTROCK2ROCK1
SCHEMBL2778791 0.79 MAPK10 (0.47) MEN1KMT2AMAPK1ROCK2NPC1

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 LMNA 2422/4885MEN1 3513/4885KMT2A 4155/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 LMNA 2533/4885MEN1 3516/4885KMT2A 4154/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 LMNA 2422/4885MEN1 3513/4885KMT2A 4155/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 LMNA 2422/4885MEN1 3513/4885KMT2A 4155/4885

“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.