Sugi Predict

Sugi Predict / Compounds / SCHEMBL1815261

SCHEMBL1815261

SCHEMBL1815261

Cn1cc(-c2nc(C(=O)O)cs2)cn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ CLK2 P49760 1/20 0.55
▸ LRRK2 Q5S007 1/20 0.55
▸ HPGDS O60760 1/20 0.50
▸ PTGER1 P34995 1/20 0.47
▸ CCNC P24863 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ PLA2G10 O15496 1/20 0.44
▸ ACHE P22303 1/20 0.43
▸ PIM1 P11309 1/20 0.42
▸ PIM2 Q9P1W9 1/20 0.42

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
SCHEMBL14227561 0.89 CLK2 (0.56) ALDH1A1CLK2LRRK2HPGDSCCNC
SCHEMBL31122120 0.87 CLK2 (0.54) ALDH1A1CLK2LRRK2CCNCCDK8
SCHEMBL31734354 0.81 ALDH1A1 (0.51) ALDH1A1CLK2LRRK2HPGDSPTGER1
SCHEMBL25531315 0.81 ALDH1A1 (0.51) ALDH1A1CLK2LRRK2HPGDSPTGER1
SCHEMBL25208266 0.77 HPGDS (0.56) ALDH1A1HPGDSPTGER1KDM4EACHE
SCHEMBL16336405 0.76 CLK2 (0.43) CLK2LRRK2PTGER1CCNCCDK8
SCHEMBL16336406 0.76 CLK2 (0.43) CLK2LRRK2PTGER1CCNCCDK8
SCHEMBL19002406 0.76 CYP3A4 (0.47) ALDH1A1CLK2LRRK2KDM4E
SCHEMBL25417848 0.74 CLK2 (0.46) CLK2LRRK2CCNCCDK8
SCHEMBL14227563 0.74 C1S (0.43) CLK2LRRK2CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3885340-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2024-11-27 — — EP disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 — — US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 — — EP disclosed
EP-3885340-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2021-09-29 — — EP disclosed
US-11046713-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2021-06-29 — — US disclosed
EP-3369732-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2021-05-26 — — EP disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 — — US disclosed
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2020-09-24 — — US disclosed
US-10711013-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2020-07-14 — — US disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 — — US disclosed
US-20150203479-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION 2015-07-23 — — US disclosed
US-8975254-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2015-03-10 — — US disclosed
EP-2493858-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2014-07-02 — — EP disclosed
EP-2516392-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-31 — — EP disclosed
US-20120225867-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2012-09-06 — — US disclosed
EP-2493858-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS Orion Corporation (FI) 2012-09-05 — — EP disclosed
WO-2011051540-A9 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2012-06-21 — — WO disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 — — WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 — — US disclosed
WO-2011051540-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2011-05-05 — — 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 (9 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-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ALDH1A1 440/4885CLK2 3447/4885LRRK2 476/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ALDH1A1 440/4885CLK2 3447/4885LRRK2 476/4885
US-10711013-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG ALDH1A1 570/4885CLK2 3316/4885LRRK2 2219/4885
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG ALDH1A1 570/4885CLK2 3316/4885LRRK2 2219/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ALDH1A1 440/4885CLK2 3447/4885LRRK2 476/4885
US-11046713-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG ALDH1A1 570/4885CLK2 3316/4885LRRK2 2219/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R ALDH1A1 440/4885CLK2 3447/4885LRRK2 476/4885
US-20150203479-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG ALDH1A1 570/4885CLK2 3316/4885LRRK2 2219/4885
US-20120225867-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG ALDH1A1 570/4885CLK2 3316/4885LRRK2 2219/4885

“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.