SCHEMBL6469376

SCHEMBL6469376

N#Cc1cc(-c2ccncc2)c(CO)[nH]c1=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 7/20 0.78
PDE3B Q13370 6/20 0.78
KDM4E B2RXH2 3/20 0.66
HPGD P15428 3/20 0.66
PDE4A P27815 2/20 0.66
BLM P54132 2/20 0.66
PDE5A O76074 1/20 0.66
LMNA P02545 1/20 0.66
TSHR P16473 1/20 0.66
PTGS1 P23219 1/20 0.66
CYP2C19 P33261 1/20 0.66
PDE4B Q07343 1/20 0.66
PDE4C Q08493 1/20 0.66
PDE4D Q08499 1/20 0.66
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
GALR3 O60755 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL10998629 0.87 PDE3A (1.00) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL10910752 0.85 PDE3A (1.00) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL11230175 0.84 PDE3A (0.74) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL10934165 0.84 PDE3A (0.74) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL11226186 0.83 PDE3A (0.86) PDE3APDE3BKDM4EHPGDPDE4A
SCHEMBL11224748 0.82 PDE3A (0.84) PDE3APDE3BKDM4EHPGDPDE4A
Milrinone SCHEMBL9247989 0.79 PDE3A (1.00) PDE3APDE3BKDM4EHPGDPDE4A
Milrinone SCHEMBL36947 0.79 PDE3A (1.00) PDE3APDE3BKDM4EHPGDPDE4A
Milrinone SCHEMBL9301167 0.79 PDE3A (1.00) PDE3APDE3BKDM4EHPGDPDE4A
Milrinone SCHEMBL9309054 0.79 PDE3A (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050136003-A1 Novel chemical agents comprising a cardiotonic moiety and an imaging moiety and methods of their use LANTHEUS MEDICAL IMAGING, INC. 2005-06-23 US disclosed
WO-2005042033-A1 NOVEL CHEMICAL AGENTS COMPRISING A CARDIOTONIC MOIETY AND AN IMAGING MOIETY AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-05-12 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-20050136003-A1 Novel chemical agents comprising a cardiotonic moiety and an imaging moiety and methods of their use TNNI3, TNNT2, TNNC1 PDE3A 205/4885PDE3B 96/4885KDM4E 2856/4885

“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.