SCHEMBL2382007

SCHEMBL2382007

COc1cccc(OC)c1CNC(=N)Nc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.49
MEN1 O00255 10/20 0.49
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 3/20 0.49
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 3/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PAX8 Q06710 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 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
SCHEMBL2379556 0.95 KMT2A (0.52) KMT2AMEN1ROCK2ROCK1RAB9A
SCHEMBL2380800 0.94 KMT2A (0.46) KMT2AMEN1ROCK2ROCK1RAB9A
SCHEMBL2381424 0.93 LMNA (0.48) KMT2AMEN1ROCK2ROCK1RAB9A
SCHEMBL2441509 0.92 MEN1 (0.48) KMT2AMEN1ROCK2ROCK1RAB9A
SCHEMBL2379112 0.92 RAB9A (0.53) KMT2AMEN1ROCK2ROCK1RAB9A
SCHEMBL2443677 0.92 NPC1 (0.54) KMT2AMEN1ROCK2ROCK1RAB9A
SCHEMBL2381307 0.92 ROCK2 (0.49) KMT2AMEN1ROCK2ROCK1RAB9A
SCHEMBL2380592 0.91 ROCK2 (0.53) KMT2AMEN1ROCK2ROCK1RAB9A
Bromide SCHEMBL2379365 0.91 MEN1 (0.47) KMT2AMEN1ROCK2ROCK1RAB9A
SCHEMBL2446391 0.91 CYP1A1 (0.50) KMT2AMEN1ROCK2ROCK1RAB9A

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 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.