SCHEMBL2379701

SCHEMBL2379701

COc1cccc(OC)c1CNC(=N)Nc1nc(-c2ccc(F)c3ccccc23)cs1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
ROCK2 O75116 3/20 0.43
ROCK1 Q13464 3/20 0.43
NAMPT P43490 1/20 0.42
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
VCP P55072 1/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
KDM1A O60341 1/20 0.39
KDM4E B2RXH2 2/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL2451042 0.89 KMT2A (0.48) KMT2AMEN1ROCK2ROCK1NAMPT
Bromide SCHEMBL2379936 0.88 KMT2A (0.48) KMT2AMEN1ROCK2ROCK1NAMPT
SCHEMBL2444278 0.87 NPC1 (0.54) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL2449265 0.87 ATP4A (0.53) KMT2AMEN1ROCK2ROCK1NAMPT
Bromide SCHEMBL2380209 0.86 NPC1 (0.53) KMT2AMEN1ATP4AATP4BMAPT
SCHEMBL2380522 0.86 KMT2A (0.42) KMT2AMEN1ROCK2ROCK1ATP4A
SCHEMBL2380484 0.86 KMT2A (0.47) KMT2AMEN1ATP4AATP4BVCP
Bromide SCHEMBL2379076 0.86 ATP4A (0.55) KMT2AMEN1ROCK2ROCK1NAMPT
SCHEMBL2444356 0.85 KMT2A (0.43) KMT2AMEN1ROCK2ROCK1NAMPT
SCHEMBL2380400 0.85 MAPT (0.45) KMT2AMEN1VCPMAPTNPC1

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 KMT2A 4155/4885MEN1 3513/4885ROCK2 2018/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 KMT2A 4154/4885MEN1 3516/4885ROCK2 2141/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 KMT2A 4155/4885MEN1 3513/4885ROCK2 2018/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 KMT2A 4155/4885MEN1 3513/4885ROCK2 2018/4885

“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.