SCHEMBL5460125

SCHEMBL5460125

Cc1[nH]c(=O)c(C#N)cc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
HPGD P15428 5/20 1.00
ALDH1A1 P00352 3/20 1.00
GAA P10253 2/20 1.00
GALR3 O60755 1/20 1.00
PDE3A Q14432 6/20 0.73
PDE3B Q13370 5/20 0.73
PDE4A P27815 3/20 0.73
PDE4B Q07343 2/20 0.73
PDE4C Q08493 2/20 0.73
PDE4D Q08499 2/20 0.73
BLM P54132 2/20 0.73
CYP2C19 P33261 2/20 0.73
PDE5A O76074 1/20 0.73
LMNA P02545 1/20 0.73
TSHR P16473 1/20 0.73
PTGS1 P23219 1/20 0.73
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
PDE2A O00408 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
SCHEMBL8210361 0.86 KDM4E (0.75) KDM4EHPGDALDH1A1GAAGALR3
SCHEMBL5470727 0.84 HPGD (0.73) KDM4EHPGDALDH1A1GAAGALR3
Milrinone SCHEMBL9247989 0.84 PDE3A (1.00) KDM4EHPGDALDH1A1GAAGALR3
SCHEMBL9587750 0.84 KDM4E (0.73) KDM4EHPGDALDH1A1GAAGALR3
SCHEMBL10891425 0.84 KDM4E (0.73) KDM4EHPGDALDH1A1GAAGALR3
Milrinone SCHEMBL9309054 0.84 PDE3A (1.00) KDM4EHPGDALDH1A1GAAGALR3
Milrinone SCHEMBL36947 0.84 PDE3A (1.00) KDM4EHPGDALDH1A1GAAGALR3
SCHEMBL7407595 0.84 KDM4E (0.73) KDM4EHPGDALDH1A1GAAGALR3
Milrinone SCHEMBL9301167 0.84 PDE3A (1.00) KDM4EHPGDALDH1A1GAAGALR3
SCHEMBL7321021 0.84 KDM4E (0.72) KDM4EHPGDALDH1A1GAAGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase ARTESIAN THERAPECUTICS, INC (US) 2007-05-24 US claimed
JP-2006513222-A 2006-04-20 JP claimed
EP-1575923-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST &bgr;-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE Artesian Therapeutics, Inc. (US) 2005-09-21 EP claimed
WO-2004058726-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST β-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS, INC. (US) 2004-07-15 WO claimed
US-5153209-A Cardiotonic agents GLAXO INC. (US) 1992-10-06 US claimed
US-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase ARTESIAN THERAPECUTICS, INC (US) 2007-05-24 US disclosed
EP-1575923-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST &bgr;-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE Artesian Therapeutics, Inc. (US) 2005-09-21 EP disclosed
WO-2004058726-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST β-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS, INC. (US) 2004-07-15 WO disclosed
EP-0636142-B1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LTD (GB) 1998-06-17 EP disclosed
US-5721222-A Heterocyclic ketones ZENECA LIMITED (GB) 1998-02-24 US disclosed
EP-0630382-B1 LACTAM DIPEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LTD (GB) 1997-02-26 EP disclosed
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
WO-1993021209-A1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1993-10-28 WO disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP disclosed
US-5010086-A Enzyme inhibitor for treating congestive heart failure or hypertension in mammals STERLING DRUG INC. (US) 1991-04-23 US disclosed
US-4963561-A Phosphodiesterase inhibitors STERLING DRUG INC. (US) 1990-10-16 US disclosed
US-4508722-A 1-Benzoyl-3-(arylpyridyl)urea compounds ELI LILLY AND COMPANY (US) 1985-04-02 US disclosed
US-4405552-A INSECTICIDES ELI LILLY AND COMPANY (US) 1983-09-20 US disclosed
EP-0060071-A1 Improvements in or relating to 1-benzoyl-3-(arylpyridyl)urea compounds ELI LILLY AND COMPANY (US) 1982-09-15 EP disclosed
WO-1981002575-A1 DERIVATIVES OF 2(1H)-PYRIDINONE,THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SANDOZ AG (CH) 1981-09-17 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 (1 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-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase PDE3A, PDE4A, PDE3B KDM4E 3236/4885HPGD 1051/4885ALDH1A1 1398/4885

“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.