SCHEMBL20587790

SCHEMBL20587790

CC(C)c1ccc(-c2nc3ncccn3c2C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 3/20 0.46
KCNK3 O14649 14/20 0.45
KCNK9 Q9NPC2 14/20 0.45
HPGD P15428 1/20 0.43

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
SCHEMBL20587818 0.85 ALDH1A1 (0.68) ALDH1A1RAB9AKDM4ESMN1; SMN2GLA
SCHEMBL15114823 0.84 GAA (0.56) ALDH1A1RAB9AKDM4ESMN1; SMN2GLA
SCHEMBL22001925 0.83 ALDH1A1 (0.50) ALDH1A1RAB9AKDM4ESMN1; SMN2GLA
SCHEMBL18952249 0.79 NPC1 (0.73) ALDH1A1RAB9AKDM4ESMN1; SMN2GAA
SCHEMBL30417973 0.72 KCNK3 (0.69) KCNK3KCNK9
SCHEMBL29935956 0.71 KDM4E (0.49) ALDH1A1RAB9AKDM4ESMN1; SMN2GLA
SCHEMBL25238913 0.71 KCNK3 (0.69) KCNK3KCNK9
SCHEMBL20588935 0.71 KCNK3 (0.68) KCNK3KCNK9
SCHEMBL14881844 0.70 GPBAR1 (0.80) ALDH1A1RAB9AKDM4ESMN1; SMN2GLA
SCHEMBL30359090 0.70 KCNK3 (0.64) KCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250154175-A1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2025-05-15 US disclosed
US-12180227-B2 Diazabicyclic substituted imidazopyrimidines and their use for the treatment of breathing disorders BAYER AKTIENGESELLSCHAFT (DE) 2024-12-31 US disclosed
CN-115554300-B Diazabicyclo-substituted imidazopyrimidines and their use for the treatment of respiratory disorders 拜耳股份公司 2024-10-29 CN disclosed
EP-3638675-B1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS BAYER AG (DE) 2024-04-17 EP disclosed
CN-116057057-A Conjugates of alpha 2-adrenoceptor subtype C (alpha-2C) antagonists and TASK1/3 channel blockers for the treatment of sleep apnea 拜耳公司 2023-05-02 CN disclosed
CN-115583959-A Diazabicyclo-substituted imidazopyrimidines and their use for the treatment of respiratory disorders 拜耳股份公司 2023-01-10 CN disclosed
CN-115554300-A Diazabicyclo-substituted imidazopyrimidines and their use for the treatment of respiratory disorders 拜耳股份公司 2023-01-03 CN disclosed
CN-115554299-A Diazabicyclo-substituted imidazopyrimidines and their use for the treatment of respiratory disorders 拜耳股份公司 2023-01-03 CN disclosed
CN-110719911-B Diazabicyclo-substituted imidazopyrimidines and their use for the treatment of respiratory disorders 拜耳股份公司 2022-10-21 CN disclosed
US-20220017540-A1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2022-01-20 US disclosed
US-20220017540-A1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2022-01-20 US disclosed
US-11208422-B2 Substituted bridged diazepane derivatives and use thereof as TASK-1 and TASK-3 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-12-28 US disclosed
US-11208422-B2 Substituted bridged diazepane derivatives and use thereof as TASK-1 and TASK-3 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-12-28 US disclosed
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-07 US disclosed
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-07 US disclosed
EP-3638676-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2020-04-22 EP disclosed
US-20200109155-A1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2020-04-09 US disclosed
WO-2018228909-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-20 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-11208422-B2 Substituted bridged diazepane derivatives and use thereof as TASK-1 and TASK-3 inhibitors BET1, HRH1, GRIN1 ALDH1A1 1483/4885RAB9A 4077/4885KDM4E 1380/4885
US-12180227-B2 Diazabicyclic substituted imidazopyrimidines and their use for the treatment of breathing disorders HIF1AN, QDPR, DHPS ALDH1A1 233/4885RAB9A 4265/4885KDM4E 2307/4885
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS GRIN1, BET1, HRH1 ALDH1A1 1542/4885RAB9A 4140/4885KDM4E 1415/4885
US-20250154175-A1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS HIF1AN, QDPR, HNMT ALDH1A1 645/4885RAB9A 4465/4885KDM4E 2052/4885
US-20220017540-A1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS HIF1AN, QDPR, HNMT ALDH1A1 645/4885RAB9A 4465/4885KDM4E 2052/4885
US-20200109155-A1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS HIF1AN, QDPR, HNMT ALDH1A1 645/4885RAB9A 4465/4885KDM4E 2052/4885

“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.