SCHEMBL5519641

SCHEMBL5519641

Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1C#N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 7/20 0.70
PDE3B Q13370 6/20 0.70
KDM4E B2RXH2 6/20 0.70
HPGD P15428 3/20 0.70
PDE4A P27815 2/20 0.70
BLM P54132 2/20 0.70
CYP2C19 P33261 2/20 0.70
PDE5A O76074 1/20 0.70
LMNA P02545 1/20 0.70
TSHR P16473 1/20 0.70
PTGS1 P23219 1/20 0.70
PDE4B Q07343 1/20 0.70
PDE4C Q08493 1/20 0.70
PDE4D Q08499 1/20 0.70
ALDH1A1 P00352 2/20 0.57
GALR3 O60755 1/20 0.57
GAA P10253 1/20 0.57
PDE2A O00408 1/20 0.53
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53

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
Milrinone SCHEMBL9301167 0.82 PDE3A (1.00) PDE3APDE3BKDM4EHPGDPDE4A
Milrinone SCHEMBL9309054 0.82 PDE3A (1.00) PDE3APDE3BKDM4EHPGDPDE4A
Milrinone SCHEMBL36947 0.82 PDE3A (1.00) PDE3APDE3BKDM4EHPGDPDE4A
Milrinone SCHEMBL9247989 0.82 PDE3A (1.00) PDE3APDE3BKDM4EHPGDPDE4A
Milrinone SCHEMBL28184205 0.81 PDE3A (0.97) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL10911458 0.81 PDE3A (0.71) PDE3APDE3BKDM4EHPGDPDE4A
Milrinone SCHEMBL1160021 0.80 PDE3A (0.94) PDE3APDE3BKDM4EHPGDPDE4A
Milrinone SCHEMBL9132559 0.80 PDE3A (0.94) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL10984156 0.78 PDE3A (0.67) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL9276923 0.78 KDM4E (0.53) PDE3APDE3BKDM4EHPGDPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053350-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2013-02-28 US claimed
US-20240366620-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CANCER PATIENT STRATIFICATION AND CANCER TREATMENT BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2024-11-07 US disclosed
EP-3334404-B1 COMPOSITIONS AND METHODS FOR CANCER EXPRESSING PDE3A AND SLFN12 BROAD INST INC (US) 2024-09-18 EP disclosed
US-12053476-B2 Compounds, compositions and methods for cancer patient stratification and cancer treatment BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2024-08-06 US disclosed
CN-114886851-B Milrinon liposome, preparation and preparation method thereof 平顶山市第二人民医院 2023-04-25 CN disclosed
CN-114886851-A Milrinone liposome, preparation and preparation method thereof 平顶山市第二人民医院 2022-08-12 CN disclosed
CN-108883112-B Compounds, compositions and methods for cancer patient stratification and cancer treatment 拜耳医药股份公司 2022-07-26 CN disclosed
CN-114699528-A Compositions and methods for PDE3A or SLFN12 expressing cancers 布罗德研究所股份有限公司 2022-07-05 CN disclosed
CN-114617843-A Milrinone injection and preparation method and application thereof 华润三九(雅安)药业有限公司 2022-06-14 CN disclosed
CN-114601837-A Compounds, compositions and methods for cancer patient stratification and cancer treatment 拜耳医药股份公司 2022-06-10 CN disclosed
US-8912335-B2 PPAR-sparing thiazolidinedione salts for the treatment of metabolic diseases METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2014-12-16 US disclosed
WO-2014093114-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY LLC (US) 2014-06-19 WO disclosed
US-20130296331-A1 COMPOSITIONS AND METHODS FOR AMELIORATING RENAL DYSFUNCTION INDUCED BY RENAL HYPOPERFUSION OR ACUTE KIDNEY INJURY TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2013-11-07 US disclosed
US-20130053350-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2013-02-28 US disclosed
US-20120322728-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF DIABETES MELLITUS AND OTHER METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2012-12-20 US disclosed
US-20120316138-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF OBESITY AND OTHER METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2012-12-13 US disclosed
US-20120309975-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY LLC (US) 2012-12-06 US disclosed
EP-2513070-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES Metabolic Solutions Development Company LLC (US) 2012-10-24 EP disclosed
EP-2512475-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF OBESITY AND OTHER METABOLIC DISEASES Metabolic Solutions Development Company LLC (US) 2012-10-24 EP disclosed
US-20070274925-A1 NEBULIZABLE COMPOSITIONS OF QUATERNARY AMMONIUM MUSCARINIC RECEPTOR ANTAGONISTS DEY, L.P. (US) 2007-11-29 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 (8 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-20130053350-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PPARD, PPARG, PPARA PDE3A 1698/4885PDE3B 1548/4885KDM4E 3326/4885
US-20120309975-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES PPARD, PPARG, PPARA PDE3A 2374/4885PDE3B 2005/4885KDM4E 3252/4885
US-20070274925-A1 NEBULIZABLE COMPOSITIONS OF QUATERNARY AMMONIUM MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 PDE3A 475/4885PDE3B 463/4885KDM4E 2735/4885
US-20120316138-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF OBESITY AND OTHER METABOLIC DISEASES PPARD, PPARA, PPARG PDE3A 1128/4885PDE3B 734/4885KDM4E 2796/4885
US-12053476-B2 Compounds, compositions and methods for cancer patient stratification and cancer treatment CREB1, CREBBP, SLFN12 PDE3A 7/4885PDE3B 11/4885KDM4E 2202/4885
US-20120322728-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF DIABETES MELLITUS AND OTHER METABOLIC DISEASES GLP1R, PPARD, PPARA PDE3A 882/4885PDE3B 770/4885KDM4E 3073/4885
US-20130296331-A1 COMPOSITIONS AND METHODS FOR AMELIORATING RENAL DYSFUNCTION INDUCED BY RENAL HYPOPERFUSION OR ACUTE KIDNEY INJURY PDE3B, PDE3A, PDE2A PDE3A 2/4885PDE3B 1/4885KDM4E 2463/4885
US-20240366620-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CANCER PATIENT STRATIFICATION AND CANCER TREATMENT CREB1, CREBBP, SLFN12 PDE3A 7/4885PDE3B 11/4885KDM4E 2202/4885

“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.