Milrinone

Milrinone

SCHEMBL3463564

CC(O)C(=O)O.Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1.Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PDE3A

The experimentally established mechanism targets of Milrinone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A known ✓ Q14432 8/20 0.79
PDE3B Q13370 7/20 0.79
HPGD P15428 3/20 0.79
KDM4E B2RXH2 3/20 0.79
PDE4A P27815 3/20 0.79
BLM P54132 2/20 0.79
PDE4B Q07343 2/20 0.79
PDE4C Q08493 2/20 0.79
PDE4D Q08499 2/20 0.79
PDE5A O76074 1/20 0.79
LMNA P02545 1/20 0.79
TSHR P16473 1/20 0.79
PTGS1 P23219 1/20 0.79
CYP2C19 P33261 1/20 0.79
GALR3 O60755 1/20 0.62
ALDH1A1 P00352 1/20 0.62
GAA P10253 1/20 0.62
PDE2A O00408 1/20 0.57
PDE1A P54750 1/20 0.57
PDE1B Q01064 1/20 0.57

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 SCHEMBL42338 1.00 PDE3A (0.79) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL36948 0.91 PDE3A (0.75) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL36947 0.89 PDE3A (1.00) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL9309054 0.89 PDE3A (1.00) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL9301167 0.89 PDE3A (1.00) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL9247989 0.89 PDE3A (1.00) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL28184205 0.87 PDE3A (0.97) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL1160021 0.86 PDE3A (0.94) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL9132559 0.86 PDE3A (0.94) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL8578994 0.86 PDE3A (0.79) PDE3APDE3BHPGDKDM4EPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240761-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS DEY, L.P. (US) 2010-09-23 US disclosed
US-20090143475-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS DEY, L.P. (US) 2009-06-04 US disclosed
US-7465756-B2 Bronchodilating beta-agonist compositions and methods JPMORGAN CHASE BANK, N.A. (US) 2008-12-16 US disclosed
US-7348362-B2 Bronchodilating β-agonist compositions and methods DEY, L.P. (US) 2008-03-25 US disclosed
US-20070160541-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS DEY, L.P. (US) 2007-07-12 US disclosed
US-20050009923-A1 Bronchodilating beta-agonist compositions and methods MYLAN TECHNOLOGIES, INC. 2005-01-13 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 (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-20100240761-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS ADRB2, ADRB3, ADRB1 PDE3A 26/4885PDE3B 32/4885HPGD 594/4885
US-20050009923-A1 Bronchodilating beta-agonist compositions and methods ADRB2, ADRB3, ADRB1 PDE3A 26/4885PDE3B 32/4885HPGD 594/4885
US-20070160541-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS ADRB2, ADRB3, ADRB1 PDE3A 26/4885PDE3B 32/4885HPGD 594/4885
US-20090143475-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS ADRB2, ADRB3, ADRB1 PDE3A 26/4885PDE3B 32/4885HPGD 594/4885

“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.