SCHEMBL2379040

SCHEMBL2379040

O=C(CBr)c1ccnc2c(F)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.49
KDM4E B2RXH2 5/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
RAB9A P51151 2/20 0.45
KDM4A O75164 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
HIF1AN Q9NWT6 1/20 0.45
PSMD14 O00487 2/20 0.43
PRKD3 O94806 2/20 0.42
MAP4K4 O95819 2/20 0.42
CDK1 P06493 2/20 0.42
CSF1R P07333 2/20 0.42
CDK2 P24941 2/20 0.42
FLT4 P35916 2/20 0.42
CLK2 P49760 2/20 0.42
MAPK12 P53778 2/20 0.42
CSNK2A1 P68400 2/20 0.42
CDK5 Q00535 2/20 0.42
STK3 Q13188 2/20 0.42
TAOK1 Q7L7X3 2/20 0.42

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
SCHEMBL7373143 0.81 KDM4E (0.68) KDM4EL3MBTL1RAB9AKDM4AEGLN1
SCHEMBL2379491 0.80 L3MBTL1 (0.49) KDM4EL3MBTL1RAB9AKDM4AEGLN1
SCHEMBL27296315 0.79 CYP1A1 (0.46) KDM4EL3MBTL1RAB9AKDM4AEGLN1
SCHEMBL22492423 0.76 PSMD14 (0.68) KDM4EL3MBTL1RAB9AKDM4AEGLN1
SCHEMBL3247218 0.75 LMNA (0.42) PTPN1KDM4ERAB9AEGLN1MAPK1
SCHEMBL1882353 0.74 PTPN1 (0.54) PTPN1RAB9AGSK3BHPGDSNPC1
Hydrochloric Acid SCHEMBL20269909 0.72 KDM4E (0.46) KDM4EL3MBTL1RAB9AKDM4AEGLN1
SCHEMBL29603588 0.70 CTNNB1 (0.48) PTPN1KDM4EL3MBTL1RAB9AGSK3B
SCHEMBL3741436 0.70 CTNNB1 (0.48) PTPN1KDM4EL3MBTL1RAB9AGSK3B
SCHEMBL4116945 0.70 HPGDS (0.58) PTPN1GSK3BHPGDS

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 PTPN1 3715/4885KDM4E 2684/4885L3MBTL1 2611/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 PTPN1 3644/4885KDM4E 2805/4885L3MBTL1 2774/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 PTPN1 3715/4885KDM4E 2684/4885L3MBTL1 2611/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 PTPN1 3715/4885KDM4E 2684/4885L3MBTL1 2611/4885

“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.