SCHEMBL4486546

SCHEMBL4486546

N#Cc1cc(Cl)ncc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.40
CSNK1A1 P48729 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
GRM4 Q14833 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
PGK1 P00558 1/20 0.37
VCAM1 P19320 1/20 0.36
IDO1 P14902 1/20 0.36
CYP11B1 P15538 1/20 0.35
LRRK2 Q5S007 1/20 0.34
KHK P50053 1/20 0.33

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
SCHEMBL1286023 0.82 CSNK1A1 (0.44) CYP11B2CSNK1A1CLK4ALDH1A1NPSR1
SCHEMBL30445578 0.82 CSNK1A1 (0.44) CYP11B2CSNK1A1CLK4ALDH1A1NPSR1
SCHEMBL19565835 0.78 ALDH1A1 (0.40) CYP11B2CSNK1A1CLK4ALDH1A1NPSR1
SCHEMBL30931692 0.78 KCNQ3 (0.44) CYP11B2CSNK1A1CLK4ALDH1A1NPSR1
SCHEMBL15074083 0.78 XDH (0.39) CYP11B2CSNK1A1CLK4ALDH1A1NPSR1
SCHEMBL25234861 0.78 CSNK1A1 (0.46) CYP11B2CSNK1A1CLK4ALDH1A1NPSR1
SCHEMBL19517506 0.78 GRM4 (0.41) CYP11B2CSNK1A1CLK4ALDH1A1NPSR1
SCHEMBL4319117 0.78 KCNQ3 (0.44) CYP11B2CSNK1A1CLK4ALDH1A1NPSR1
SCHEMBL10958106 0.78 TRPV4 (0.39) CYP11B2CSNK1A1CLK4ALDH1A1NPSR1
SCHEMBL4311935 0.78 CYP11B2 (0.53) CYP11B2CSNK1A1CLK4ALDH1A1NPSR1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3296309-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2019-08-07 EP disclosed
EP-3296309-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS Universiteit Gent (BE) 2018-03-21 EP disclosed
EP-2877480-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2017-09-06 EP disclosed
US-9321796-B2 Galactopyranosyl derivatives useful as medicaments UNIVERSITEIT GENT (BE) 2016-04-26 US disclosed
US-20150210728-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS AMBICION CO., LTD. (JP) 2015-07-30 US disclosed
EP-2877480-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS Universiteit van Gent (BE) 2015-06-03 EP disclosed
WO-2014001204-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIVERSITEIT GENT (BE) 2014-01-03 WO disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 US disclosed
US-20040077681-A1 Pyrazolo[3,4-c]pyridines as gsk-3 inhibitors SMITHKLINE BEECHAM P.L.C (GB) 2004-04-22 US disclosed
EP-1347972-A1 PYRAZOLO 3,4-C]PYRIDINES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2003-10-01 EP disclosed
WO-2002050073-A1 PYRAZOLO[3,4-C]PYRIDINES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 WO disclosed
EP-0822930-B1 PYRIDINE DERIVATIVE AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-07-28 EP disclosed
US-5763463-A Pyridine compounds which are useful as pesticides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-06-09 US disclosed
EP-0822930-A1 PYRIDINE DERIVATIVE AND PESTICIDE KumaiI Chemical Industry Co., Ltd. (JP) 1998-02-11 EP disclosed
WO-1996033975-A1 PYRIDINE DERIVATIVE AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-10-31 WO disclosed
US-4558040-A Miticidal (2-alkyl-3,4-dihydro-2H-1-benzopyran-8-yl)-diazenecarboxylic acid esters SHELL OIL COMPANY (US) 1985-12-10 US disclosed
US-4558134-A PICORNAVIRUS THE DOW CHEMICAL COMPANY (US) 1985-12-10 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 (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-20040077681-A1 Pyrazolo[3,4-c]pyridines as gsk-3 inhibitors GSK3B, GSK3A, GSKIP CYP11B2 652/4885CSNK1A1 40/4885CLK4 599/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH CYP11B2 610/4885CSNK1A1 132/4885CLK4 2180/4885
US-20150210728-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS B3GAT3, GALR3, ST6GAL1 CYP11B2 2071/4885CSNK1A1 300/4885CLK4 4172/4885

“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.