SCHEMBL2453540

SCHEMBL2453540

Cc1[nH]c(=O)c(C#N)cc1-c1ccc2ncccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 4/20 0.60
HPGD P15428 3/20 0.60
KDM4E B2RXH2 3/20 0.60
PDE3B Q13370 3/20 0.60
PDE4A P27815 2/20 0.60
BLM P54132 2/20 0.60
PDE5A O76074 1/20 0.60
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.60
PTGS1 P23219 1/20 0.60
CYP2C19 P33261 1/20 0.60
PDE4B Q07343 1/20 0.60
PDE4C Q08493 1/20 0.60
PDE4D Q08499 1/20 0.60
ALDH1A1 P00352 2/20 0.59
GALR3 O60755 1/20 0.59
GAA P10253 1/20 0.59
CYP3A4 P08684 1/20 0.54
NFKB1 P19838 1/20 0.54
PMP22 Q01453 1/20 0.54

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
SCHEMBL29424274 1.00 PDE3A (0.60) PDE3AHPGDKDM4EPDE3BPDE4A
SCHEMBL7344339 0.91 PDE3A (0.60) PDE3AHPGDKDM4EPDE3BPDE4A
SCHEMBL20675641 0.79 ADORA2A (0.52) HPGDKDM4EALDH1A1GALR3GAA
SCHEMBL20675029 0.79 ADORA2A (0.50) PDE3AHPGDKDM4EPDE3BPDE4A
SCHEMBL20675734 0.78 ADORA2A (0.49) PDE3AHPGDKDM4EPDE3BPDE4A
SCHEMBL29077106 0.78 NPC1 (0.59) HPGDKDM4EBLMLMNATSHR
SCHEMBL20675740 0.78 ADORA2A (0.51) PDE3AHPGDKDM4EPDE3BPDE4A
SCHEMBL10912708 0.77 PDE3A (0.72) PDE3AHPGDKDM4EPDE3BPDE4A
SCHEMBL1150800 0.77 NPC1 (0.54) KDM4ETSHRCYP2C19ALDH1A1CYP3A4
SCHEMBL10981195 0.76 KDM4E (0.62) PDE3AHPGDKDM4EPDE3BPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1176960-B1 SYNERGISTIC COMBINATION COMPRISING ROFLUMILAST AND A PDE-3 INHIBITOR ALTANA PHARMA AG (DE) 2004-09-29 EP claimed
US-5141931-A 5-Quinolinylpyridinones, cardiotonic compositions and methods STERLING WINTHROP INC. (US) 1992-08-25 US claimed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
EP-1176960-B1 SYNERGISTIC COMBINATION COMPRISING ROFLUMILAST AND A PDE-3 INHIBITOR ALTANA PHARMA AG (DE) 2004-09-29 EP disclosed
US-5141931-A 5-Quinolinylpyridinones, cardiotonic compositions and methods STERLING WINTHROP INC. (US) 1992-08-25 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 (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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF PDE3A 49/4885HPGD 1435/4885KDM4E 2360/4885

“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.