Sugi Predict

Sugi Predict / Compounds / SCHEMBL718474

SCHEMBL718474

SCHEMBL718474

Nc1nc(Cl)cc(-c2ccco2)n1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 5/20 0.54
▸ HSP90AB1 P08238 5/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ADORA2A P29274 9/20 0.50
▸ ADORA1 P30542 7/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ADORA2B P29275 4/20 0.49
▸ ADORA3 P0DMS8 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PTGS1 P23219 1/20 0.46

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
SCHEMBL1554000 0.87 MAPT (0.58) KDM4EADORA2AADORA1MAPTHSD17B10
SCHEMBL29044796 0.82 MAPT (0.53) KDM4EADORA2AADORA1MAPTHSD17B10
SCHEMBL30488014 0.82 MAPT (0.53) KDM4EADORA2AADORA1MAPTHSD17B10
SCHEMBL3325699 0.82 ALDH1A1 (0.45) KDM4EADORA2AADORA1MAPTHSD17B10
SCHEMBL3800899 0.79 PDE10A (0.47) KDM4EADORA2AADORA1MAPTHSD17B10
SCHEMBL717572 0.79 MAPT (0.54) KDM4EADORA2AADORA1MAPTHSD17B10
SCHEMBL30353595 0.79 ADORA2A (0.50) HSP90AA1KDM4EADORA2AADORA1MAPT
SCHEMBL30108078 0.79 MAPT (0.50) KDM4EADORA2AADORA1MAPTHSD17B10
SCHEMBL23204380 0.76 DYRK1A (0.45) KDM4EADORA2AADORA1MAPTHSD17B10
SCHEMBL23162725 0.76 MAPT (0.42) KDM4EADORA2AADORA1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110655509-B 2-aminopyrimidine derivatives, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-01-24 — — CN disclosed
WO-2022203399-A1 ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF 주식회사 스탠다임 2022-09-29 — — WO disclosed
US-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS NIKANG THERAPEUTICS, INC. (US) 2021-11-18 — — US disclosed
EP-3820474-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS Nikang Therapeutics, Inc. (US) 2021-05-19 — — EP disclosed
CN-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 — — CN disclosed
CN-110655509-A 2-aminopyrimidine derivatives, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2020-01-07 — — CN disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 — — US disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 — — US disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 — — US disclosed
EP-1470121-B1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2012-07-11 — — EP disclosed
US-20050192304-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2005-09-01 — — US disclosed
WO-2005079801-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R & D) LTD (GB) 2005-09-01 — — WO disclosed
US-6924290-B2 Rho-kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-08-02 — — US disclosed
WO-2005035507-A2 4-AMINOPYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-04-21 — — WO disclosed
EP-1470122-A1 RHO-KINASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-10-27 — — EP disclosed
EP-1470121-A1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-10-27 — — EP disclosed
US-20040002507-A1 Rho-kinase inhibitors BAYER CORPORATION (US) 2004-01-01 — — US disclosed
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders BAYER CORPORATION 2004-01-01 — — US disclosed
WO-2003062227-A1 RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-31 — — WO disclosed
WO-2003062225-A1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-31 — — 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-20040002507-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 HSP90AA1 658/4885HSP90AB1 506/4885KDM4E 1463/4885
US-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS ADORA2A, ADORA1, ADORA3 HSP90AA1 2718/4885HSP90AB1 2515/4885KDM4E 3550/4885
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders CIT, ROCK1, RHOT2 HSP90AA1 220/4885HSP90AB1 244/4885KDM4E 2010/4885
US-20120302587-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 HSP90AA1 658/4885HSP90AB1 506/4885KDM4E 1463/4885
US-20050192304-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 HSP90AA1 658/4885HSP90AB1 506/4885KDM4E 1463/4885

“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.