SCHEMBL2379519

SCHEMBL2379519

COc1ccccc1CNC(=N)Nc1nc(C)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
PKM P14618 1/20 0.55
ROCK2 O75116 2/20 0.53
ROCK1 Q13464 2/20 0.53
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GCK P35557 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPK10 P53779 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL2419944 0.87 SMN1; SMN2 (0.48) POLBPKMROCK2ROCK1HPGD
SCHEMBL2379440 0.87 ALDH1A1 (0.49) POLBPKMHPGDALDH1A1GAA
SCHEMBL2380035 0.85 MAPK1 (0.56) POLBPKMROCK2ROCK1HPGD
SCHEMBL2380781 0.85 ROCK2 (0.67) ROCK2ROCK1NPC1RAB9ALMNA
SCHEMBL2379641 0.84 ROCK2 (0.50) POLBPKMROCK2ROCK1HPGD
SCHEMBL2380675 0.83 ROCK1 (0.77) ROCK2ROCK1SMN1; SMN2KMT2AMEN1
SCHEMBL2379946 0.82 ROCK2 (0.58) POLBPKMROCK2ROCK1HPGD
SCHEMBL2381438 0.82 ROCK2 (0.53) POLBPKMROCK2ROCK1HPGD
SCHEMBL2379753 0.82 ROCK2 (0.56) ROCK2ROCK1HPGDALDH1A1MAPT
SCHEMBL2378938 0.82 RAB9A (0.50) POLBHPGDALDH1A1GAAMAPT

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 9 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-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 POLB 4113/4885PKM 1978/4885ROCK2 2018/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 POLB 3967/4885PKM 2003/4885ROCK2 2141/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 POLB 4113/4885PKM 1978/4885ROCK2 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.