SCHEMBL7278083

SCHEMBL7278083

O=c1ccc(-c2ccc(-n3cnc4c3CCCC4)cc2)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 7/20 0.57
▸ PDE3A Q14432 7/20 0.57
▸ PDE2A O00408 2/20 0.57
▸ PDE1A P54750 1/20 0.52
▸ PDE1B Q01064 1/20 0.52
▸ PDE1C Q14123 1/20 0.52
▸ HRH3 Q9Y5N1 9/20 0.46
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ MAPT P10636 1/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38

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
SCHEMBL7290893 0.74 PDE3B (0.59) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7277180 0.72 HTT (0.53) PDE3BPDE3APDE2AKMT2ACYP1A2
SCHEMBL7293060 0.71 PDE3B (0.54) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7461486 0.71 PDE3B (0.61) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL3452908 0.71 LMNA (0.80) PDE3BPDE3AHRH3LMNAMEN1
SCHEMBL17185938 0.70 PDE3B (0.53) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7425735 0.70 PDE3B (0.52) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7382611 0.70 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10963015 0.70 PDE3B (0.66) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL22473990 0.69 PDE3B (0.51) PDE3BPDE3APDE2APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0075436-A1 Substituted 4,5-dihydro-6-(substituted)-phenyl-3(2H)-pyridazinones and 6-(substituted)phenyl-3(2H)-pyridazinones WARNER-LAMBERT COMPANY (US) 1983-03-30 — — EP claimed
US-20080262226-A1 METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR AND A LINKER AND METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR, A LINKER AND A PHOSPHODIESTERASE INHIBITOR ARTESIAN THERAPEUTICS, INC. (CA) 2008-10-23 — — US disclosed
US-4734415-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1988-03-29 — — US disclosed
EP-0075436-A1 Substituted 4,5-dihydro-6-(substituted)-phenyl-3(2H)-pyridazinones and 6-(substituted)phenyl-3(2H)-pyridazinones WARNER-LAMBERT COMPANY (US) 1983-03-30 — — EP 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-20080262226-A1 METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR AND A LINKER AND METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR, A LINKER AND A PHOSPHODIESTERASE INHIBITOR ADRB2, ADRB3, ADRB1 PDE3B 6/4885PDE3A 4/4885PDE2A 8/4885

“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.

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