Sugi Predict

Sugi Predict / Compounds / SCHEMBL1710208

SCHEMBL1710208

SCHEMBL1710208

COC(=O)c1c(Cl)cc(Cl)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ ACHE P22303 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL12380495 0.85 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2CYP3A4ACHE
SCHEMBL1085042 0.85 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2MAPK1CYP3A4
SCHEMBL30430258 0.85 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2MAPK1CYP3A4
SCHEMBL25343847 0.84 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2MAPK1CYP3A4
SCHEMBL2630833 0.84 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2MAPK1CYP3A4
SCHEMBL17054798 0.83 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2CYP3A4ACHE
SCHEMBL11295102 0.83 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2MAPK1CYP3A4
SCHEMBL14660349 0.82 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2MAPK1CYP3A4
SCHEMBL24070302 0.82 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2CYP3A4ACHE
SCHEMBL19991019 0.82 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945571-B Cyclic compounds and methods of use thereof 薛定谔公司 2025-02-25 — — CN disclosed
EP-4310091-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-01-24 — — EP disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 — — US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 — — US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 — — US disclosed
EP-4081526-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2022-11-02 — — EP disclosed
CN-114945571-A Cyclic compounds and methods of use thereof 薛定谔公司 2022-08-26 — — CN disclosed
WO-2021134004-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRODINGER, INC. (US) 2021-07-01 — — WO disclosed
WO-2021134004-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRODINGER, INC. (US) 2021-07-01 — — WO disclosed
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 — — EP disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 — — US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 — — US disclosed
EP-2900223-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 — — EP disclosed
US-20140349995-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2014-11-27 — — US disclosed
US-8846656-B2 Tetrahydropyrido-pyridine and tetrahydropyrido-pyrimidine compounds and use thereof as C5a receptor modulators NOVARTIS AG (CH) 2014-09-30 — — US disclosed
EP-2734521-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS Novartis AG (CH) 2014-05-28 — — EP disclosed
US-20130184253-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-07-18 — — US disclosed
WO-2013016197-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-01-31 — — WO disclosed
EP-2344477-A1 SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS Jerini AG (DE) 2011-07-20 — — EP disclosed
WO-2010031589-A1 SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-03-25 — — 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 (4 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-20140349995-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 KDM4E 3028/4885ALDH1A1 2058/4885SMN1; SMN2 4463/4885
US-20130184253-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 KDM4E 3240/4885ALDH1A1 1970/4885SMN1; SMN2 4407/4885
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME MALT1, FKBP1B, FKBP1A KDM4E 3357/4885ALDH1A1 2190/4885SMN1; SMN2 2382/4885
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 KDM4E 2166/4885ALDH1A1 358/4885SMN1; SMN2 3315/4885

“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.