Sugi Predict

Sugi Predict / Compounds / SCHEMBL826906

SCHEMBL826906

SCHEMBL826906

Cn1ncc(C(=O)O)c1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HCRTR2 O43614 1/20 0.45
▸ NR4A3 Q92570 1/20 0.44
▸ DHODH Q02127 1/20 0.43
▸ MGLL Q99685 3/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ LDHA P00338 1/20 0.42
▸ PTGIR P43119 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ NTRK1 P04629 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
SCHEMBL17324820 0.88 ROCK1 (0.51) ROCK1ALDH1A1KDM4EHCRTR2MGLL
SCHEMBL27850030 0.86 MAP2K1 (0.48) ROCK1ALDH1A1KDM4EHCRTR2MGLL
SCHEMBL8190034 0.85 MAPK14 (0.48) ROCK1ALDH1A1KDM4EPTGS1
SCHEMBL15750778 0.85 KDM4E (0.54) ROCK1KDM4E
SCHEMBL17321469 0.83 ROCK1 (0.46) ROCK1ALDH1A1KDM4EHCRTR2MGLL
SCHEMBL4333963 0.82 KDM4E (0.58) ALDH1A1KDM4E
SCHEMBL19207174 0.80 KDM4E (0.48) ALDH1A1KDM4ENR4A3DHODH
SCHEMBL15750557 0.80 KDM4E (0.51) ALDH1A1KDM4ENR4A3DHODHHIF1A
SCHEMBL949842 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ENR4A3DHODHPTGS1
SCHEMBL29575274 0.79 TDP1 (0.56) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101155783-B pyrazole compound HOFFMANN LA ROCHE 2012-01-04 — — CN claimed
EP-1928840-A1 1H-PYRAZOLE 4-CARBOXYLAMIDES, THEIR PREPARATION AND THEIR USE AS 11BETA-HYDROXYSTEROID DEHYDROGENASE F. Hoffmann-Roche AG (CH) 2008-06-11 — — EP claimed
CN-101155783-A Pyrazoles HOFFMANN LA ROCHE (CH) 2008-04-02 — — CN claimed
US-7345058-B2 (1-Methyl-5-phenyl-1H-pyrazol-4-yl)-(trans-octahydro-isoquinolin-2-yl)methanone; 11 beta -hydroxysteroid dehydrogenase inhibitor; upregulation of phosphoenolpyruvate carboxykinase (PEPCK) and glucose-6-phosphatase (G6Pase); antidiabetic agent; type II diabetes mellitus and metabolic syndrome HOFFMANN-LA ROCHE INC. (US) 2008-03-18 — — US claimed
WO-2006106052-A1 PYRAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 — — WO claimed
US-20060223852-A1 Pyrazoles GILLESPIE PAUL 2006-10-05 — — US claimed
US-11993729-B2 Chemical mechanical polishing composition BASF SE (DE) 2024-05-28 — — US disclosed
EP-3714012-B1 CHEMICAL MECHANICAL POLISHING COMPOSITION BASF SE (DE) 2023-01-11 — — EP disclosed
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 — — US disclosed
EP-3594203-B1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-08-04 — — EP disclosed
US-11059780-B2 Substituted pyrrolidine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-07-13 — — US disclosed
CN-107922787-B Use of Chemical Mechanical Polishing (CMP) compositions for polishing cobalt-containing substrates 巴斯夫欧洲公司 2021-06-29 — — CN disclosed
US-20210102093-A1 USE OF A CHEMICAL MECHANICAL POLISHING (CMP) COMPOSITION FOR POLISHING OF COBALT COMPRISING SUBSTRATES BASF SE (DE) 2021-04-08 — — US disclosed
EP-1928840-A1 1H-PYRAZOLE 4-CARBOXYLAMIDES, THEIR PREPARATION AND THEIR USE AS 11BETA-HYDROXYSTEROID DEHYDROGENASE F. Hoffmann-Roche AG (CH) 2008-06-11 — — EP disclosed
CN-101155783-A Pyrazoles HOFFMANN LA ROCHE (CH) 2008-04-02 — — CN disclosed
US-7345058-B2 (1-Methyl-5-phenyl-1H-pyrazol-4-yl)-(trans-octahydro-isoquinolin-2-yl)methanone; 11 beta -hydroxysteroid dehydrogenase inhibitor; upregulation of phosphoenolpyruvate carboxykinase (PEPCK) and glucose-6-phosphatase (G6Pase); antidiabetic agent; type II diabetes mellitus and metabolic syndrome HOFFMANN-LA ROCHE INC. (US) 2008-03-18 — — US disclosed
US-7345058-B2 (1-Methyl-5-phenyl-1H-pyrazol-4-yl)-(trans-octahydro-isoquinolin-2-yl)methanone; 11 beta -hydroxysteroid dehydrogenase inhibitor; upregulation of phosphoenolpyruvate carboxykinase (PEPCK) and glucose-6-phosphatase (G6Pase); antidiabetic agent; type II diabetes mellitus and metabolic syndrome HOFFMANN-LA ROCHE INC. (US) 2008-03-18 — — US disclosed
US-7345058-B2 (1-Methyl-5-phenyl-1H-pyrazol-4-yl)-(trans-octahydro-isoquinolin-2-yl)methanone; 11 beta -hydroxysteroid dehydrogenase inhibitor; upregulation of phosphoenolpyruvate carboxykinase (PEPCK) and glucose-6-phosphatase (G6Pase); antidiabetic agent; type II diabetes mellitus and metabolic syndrome HOFFMANN-LA ROCHE INC. (US) 2008-03-18 — — US disclosed
WO-2006106052-A1 PYRAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 — — WO disclosed
US-20060223852-A1 Pyrazoles GILLESPIE PAUL 2006-10-05 — — 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-11059780-B2 Substituted pyrrolidine compound and use thereof HCRTR2, HCRTR1, CRHR2 ROCK1 3013/4885ALDH1A1 2288/4885KDM4E 523/4885
US-20060223852-A1 Pyrazoles GPR119, PDK2, PC ROCK1 4654/4885ALDH1A1 333/4885KDM4E 4119/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ROCK1 2297/4885ALDH1A1 4193/4885KDM4E 3495/4885

“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.