SCHEMBL2379641

SCHEMBL2379641

COc1ccccc1CNC(=N)Nc1nc(C(F)(F)F)cs1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.50
ROCK1 Q13464 2/20 0.50
MAPK1 P28482 1/20 0.45
HPGD P15428 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
CSNK1D P48730 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE11A Q9HCR9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2380035 0.90 MAPK1 (0.56) ROCK2ROCK1MAPK1HPGDMEN1
SCHEMBL2380533 0.88 MAPK1 (0.43) ROCK2ROCK1MAPK1HPGDMEN1
SCHEMBL2379519 0.84 POLB (0.55) ROCK2ROCK1MAPK1HPGDMEN1
SCHEMBL2380490 0.84 ROCK2 (0.52) ROCK2ROCK1MAPK1HPGDMEN1
SCHEMBL2380781 0.81 ROCK2 (0.67) ROCK2ROCK1MAPK1MEN1KMT2A
SCHEMBL2380481 0.80 ROCK1 (0.58) ROCK2ROCK1MEN1KMT2ACSNK1D
SCHEMBL2379447 0.80 ROCK2 (0.55) ROCK2ROCK1HPGDMEN1KMT2A
SCHEMBL2380675 0.80 ROCK1 (0.77) ROCK2ROCK1MEN1KMT2ASMN1; SMN2
SCHEMBL2381438 0.79 ROCK2 (0.53) ROCK2ROCK1HPGDMEN1KMT2A
SCHEMBL8885291 0.79 RXFP1 (0.48) ROCK2ROCK1MAPK1HPGDMEN1

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 ROCK2 2018/4885ROCK1 1270/4885MAPK1 1791/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 ROCK2 2141/4885ROCK1 1379/4885MAPK1 1732/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 ROCK2 2018/4885ROCK1 1270/4885MAPK1 1791/4885

“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.