Sugi Predict

Sugi Predict / Compounds / SCHEMBL2588080

SCHEMBL2588080

SCHEMBL2588080

CC(=O)C(Cc1ccccc1)Cc1ccccc1.CC(=O)C(Cc1ccccc1)Cc1ccccc1.CC(=O)C(Cc1ccccc1)Cc1ccccc1.[Pd]

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.65
▸ CPA1 P15085 5/20 0.57
▸ CPA3 P15088 3/20 0.57
▸ FOLH1 Q04609 1/20 0.57
▸ CPB1 P15086 1/20 0.57
▸ CPB2 Q96IY4 1/20 0.57
▸ ALPI P09923 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ XIAP P98170 1/20 0.55
▸ SLC7A5 Q01650 1/20 0.55
▸ SLC15A1 P46059 1/20 0.52
▸ SLC1A3 P43003 1/20 0.52
▸ SLC1A2 P43004 1/20 0.52
▸ SLC1A1 P43005 1/20 0.52
▸ LTA4H P09960 2/20 0.51
▸ MME P08473 1/20 0.51

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
SCHEMBL4451600 1.00 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL4724923 1.00 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL107422 1.00 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL40705 1.00 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL29865739 1.00 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL497369 0.98 CYP1A2 (0.68) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL28912638 0.96 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
Chloroform SCHEMBL29063596 0.94 CYP1A2 (0.59) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL21895912 0.88 CYP1A2 (0.67) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL11634382 0.88 CYP1A2 (0.67) CYP1A2CPA1CPA3FOLH1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119390736-A Organic iridium metal complex luminescent material, preparation method thereof and organic electroluminescent device 吉林奥来德光电材料股份有限公司 2025-02-07 — — CN disclosed
EP-4434980-A1 MULTIFUNCTIONAL COMPOUND CAPABLE OF DEGRADING BTK KINASE, AND COMPOSITION AND USE Hangzhou HealZen Therapeutics Co., Ltd. (CN) 2024-09-25 — — EP disclosed
CN-113980054-B Phosphine oxide-containing compound and preparation and application thereof 广东工业大学 2023-12-15 — — CN disclosed
CN-111712499-B ATR inhibitor and application thereof 无锡智康弘义生物科技有限公司 2023-06-02 — — CN disclosed
US-20220135544-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2022-05-05 — — US disclosed
CN-113980054-A Phosphine-oxygen-containing compound and preparation and application thereof 广东工业大学 2022-01-28 — — CN disclosed
US-20200131153-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2020-04-30 — — US disclosed
CN-110730772-A Compound for organic electronic element, organic electronic element using the same, and electronic device thereof 德山新勒克斯有限公司 2020-01-24 — — CN disclosed
EP-3178818-B1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2019-05-22 — — EP disclosed
US-20180127397-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2018-05-10 — — US disclosed
US-9850228-B2 Pyrazolyl quinoxaline kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2017-12-26 — — US disclosed
EP-3178818-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS Astex Therapeutics Limited (GB) 2017-06-14 — — EP disclosed
EP-2563775-B1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2017-01-04 — — EP disclosed
US-20160311800-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2016-10-27 — — US disclosed
US-9464071-B2 Pyrazolyl quinoxaline kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2016-10-11 — — US disclosed
US-20150105368-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-04-16 — — US disclosed
US-8895601-B2 Pyrazolyl quinoxaline kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-11-25 — — US disclosed
US-20130072457-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2013-03-21 — — US disclosed
EP-2563775-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS Astex Therapeutics Limited (GB) 2013-03-06 — — EP disclosed
WO-2011135376-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-11-03 — — 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 (6 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-20200131153-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 CYP1A2 2030/4885CPA1 4317/4885CPA3 3719/4885
US-20130072457-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS MAP3K5, MAP3K1, MAP4K2 CYP1A2 1753/4885CPA1 4503/4885CPA3 3421/4885
US-20150105368-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 CYP1A2 2030/4885CPA1 4317/4885CPA3 3719/4885
US-20180127397-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 CYP1A2 2030/4885CPA1 4317/4885CPA3 3719/4885
US-20220135544-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 CYP1A2 2030/4885CPA1 4317/4885CPA3 3719/4885
US-20160311800-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 CYP1A2 2030/4885CPA1 4317/4885CPA3 3719/4885

“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.