Sugi Predict

Sugi Predict / Compounds / SCHEMBL1745165

SCHEMBL1745165

SCHEMBL1745165

Nc1nc2c(s1)CCc1ccccc1-2

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 5/20 0.97
▸ CHEK1 O14757 1/20 0.73
▸ DAPK3 O43293 1/20 0.73
▸ LTK P29376 1/20 0.73
▸ MAPK8 P45983 1/20 0.73
▸ CSNK1A1 P48729 1/20 0.73
▸ CDK8 P49336 1/20 0.73
▸ LIMK1 P53667 1/20 0.73
▸ CDK5 Q00535 1/20 0.73
▸ DYRK1A Q13627 1/20 0.73
▸ LRRK2 Q5S007 1/20 0.73
▸ CLK4 Q9HAZ1 1/20 0.73
▸ DYRK1B Q9Y463 1/20 0.73
▸ KDM4E B2RXH2 4/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ MAPT P10636 2/20 0.58
▸ MPI P34949 2/20 0.58
▸ ATP4A P20648 1/20 0.58
▸ ATP4B P51164 1/20 0.58
▸ LMNA P02545 3/20 0.58

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
SCHEMBL30953833 1.00 ADORA1 (0.97) ADORA1CHEK1DAPK3LTKMAPK8
Iodide SCHEMBL4957487 0.98 ADORA1 (1.00) ADORA1CHEK1DAPK3LTKMAPK8
SCHEMBL30953858 0.90 ADORA1 (0.79) ADORA1CHEK1DAPK3LTKMAPK8
SCHEMBL4288204 0.90 ADORA1 (0.79) ADORA1CHEK1DAPK3LTKMAPK8
Iodide SCHEMBL3989105 0.89 ADORA1 (0.82) ADORA1CHEK1DAPK3LTKMAPK8
SCHEMBL31321386 0.84 CHEK1 (1.00) ADORA1CHEK1DAPK3LTKMAPK8
SCHEMBL4959991 0.84 CHEK1 (1.00) ADORA1CHEK1DAPK3LTKMAPK8
Bromide SCHEMBL9004168 0.83 CHEK1 (0.97) ADORA1CHEK1DAPK3LTKMAPK8
Iodide SCHEMBL4959469 0.83 ADORA1 (1.00) ADORA1CHEK1DAPK3LTKMAPK8
SCHEMBL10076399 0.79 ADORA1 (0.64) ADORA1CHEK1DAPK3LTKMAPK8

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11173146-B2 Selective activators of the intermediate conductance CA2+activated K+ channel KCa3.1 and their methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-16 — — US disclosed
US-20170056376-A1 SELECTIVE ACTIVATORS OF THE INTERMEDIATE CONDUCTANCE CA2+ACTIVATED K+ CHANNEL KCa3.1 AND THEIR METHODS OF USE UNIV CALIFORNIA (US) 2017-03-02 — — US disclosed
WO-2015164816-A2 SELECTIVE ACTIVATORS OF THE INTERMEDIATE CONDUCTANCE CA2+-ACTIVATED K+ CHANNEL KCA3.1 AND THEIR METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-29 — — WO disclosed
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 — — EP disclosed
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 — — EP disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 — — US disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 — — EP disclosed
CN-102203280-A Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS INC 2011-09-28 — — CN disclosed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 — — EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 — — US disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 — — WO disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 — — US disclosed
WO-2009118596-A2 PHTHALIMIDE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-10-01 — — WO disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 — — US disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 — — EP disclosed
US-20040204477-A1 Interaction inhibitors of tcf-4 with beta-catenin PHARMACIA ITALIA S.P.A. (IT) 2004-10-14 — — US disclosed
EP-1406889-A2 INTERACTION INHIBITORS OF TCF-4 WITH BETA-CATENIN Pharmacia Italia S.p.A. (IT) 2004-04-14 — — EP disclosed
WO-2003006447-A2 INTERACTION INHIBITORS OF TCF-4 WITH BETA-CATENIN PHARMACIA ITALIA SPA (IT) 2003-01-23 — — 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 (5 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-11173146-B2 Selective activators of the intermediate conductance CA2+activated K+ channel KCa3.1 and their methods of use KCNN3, KCNN1, KCNN2 ADORA1 472/4885CHEK1 2696/4885DAPK3 240/4885
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 ADORA1 1597/4885CHEK1 4071/4885DAPK3 2807/4885
US-20040204477-A1 Interaction inhibitors of tcf-4 with beta-catenin TCF4, TCF7, TCF7L2 ADORA1 4204/4885CHEK1 3539/4885DAPK3 4211/4885
US-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR ADORA1 535/4885CHEK1 4319/4885DAPK3 3570/4885
US-20170056376-A1 SELECTIVE ACTIVATORS OF THE INTERMEDIATE CONDUCTANCE CA2+ACTIVATED K+ CHANNEL KCa3.1 AND THEIR METHODS OF USE KCNN3, KCNN1, KCNN2 ADORA1 472/4885CHEK1 2696/4885DAPK3 240/4885

“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.