SCHEMBL2379671

SCHEMBL2379671

COc1cccc(OC)c1CNC(=N)Nc1nc(-c2ccccn2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.53
RAB9A P51151 3/20 0.53
LMNA P02545 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
OPRK1 P41145 1/20 0.53
CASP3 P42574 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
ADORA3 P0DMS8 4/20 0.52
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
PKM P14618 1/20 0.50
PPP1CA P62136 1/20 0.50
KDM4E B2RXH2 2/20 0.49

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
SCHEMBL2378530 0.94 L3MBTL1 (0.49) L3MBTL1RAB9ALMNATDP1MEN1
SCHEMBL2379297 0.93 L3MBTL1 (0.48) L3MBTL1RAB9ALMNATDP1MEN1
SCHEMBL2379946 0.90 ROCK2 (0.58) L3MBTL1RAB9ALMNATDP1MEN1
SCHEMBL2448823 0.89 ROCK2 (0.46) L3MBTL1RAB9ALMNATDP1MEN1
Bromide SCHEMBL2379344 0.88 ROCK2 (0.45) L3MBTL1RAB9ALMNATDP1MEN1
SCHEMBL2380592 0.86 ROCK2 (0.53) RAB9ALMNAMEN1USP2ALOX15
SCHEMBL2449265 0.86 ATP4A (0.53) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL2380469 0.86 ROCK2 (0.45) RAB9AMEN1ALOX15KMT2AALDH1A1
SCHEMBL2380828 0.86 KMT2A (0.41) L3MBTL1RAB9ALMNATDP1MEN1
SCHEMBL2379696 0.85 ROCK1 (0.60) MEN1KMT2AALDH1A1MAPTPOLB

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 L3MBTL1 2611/4885RAB9A 1420/4885LMNA 2422/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 L3MBTL1 2774/4885RAB9A 1428/4885LMNA 2533/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 L3MBTL1 2611/4885RAB9A 1420/4885LMNA 2422/4885

“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.