SCHEMBL2329237

SCHEMBL2329237

CCCc1nn(C)c2c(NCc3ccc(OC)c(Cl)c3)nc(CCl)nc12

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 4/20 0.46
PDE5A O76074 5/20 0.41
PDE11A Q9HCR9 4/20 0.41

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
SCHEMBL7199261 0.92 PDE11A (0.44) BCDIN3DPDE5APDE11A
Dimethylamine SCHEMBL2325793 0.90 BCDIN3D (0.42) BCDIN3DPDE5APDE11A
SCHEMBL6706993 0.89 PDE11A (0.44) BCDIN3DPDE5APDE11A
SCHEMBL6706955 0.89 PDE11A (0.44) BCDIN3DPDE5APDE11A
SCHEMBL6753661 0.89 PDE5A (0.43) BCDIN3DPDE5APDE11A
SCHEMBL6707009 0.88 PDE11A (0.43) BCDIN3DPDE5APDE11A
SCHEMBL6706970 0.88 PDE11A (0.43) BCDIN3DPDE5APDE11A
SCHEMBL6706949 0.88 PDE11A (0.43) BCDIN3DPDE5APDE11A
SCHEMBL2324275 0.88 BCDIN3D (0.42) BCDIN3DPDE5APDE11A
SCHEMBL2324827 0.87 PDE5A (0.44) BCDIN3DPDE5APDE11A

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-1296986-B1 5-AMINOALKYL-PYRAZOLO[ 4,3-D]PYRIMIDINES WITH A PHOSPHODIESTERASE V-INHIBITING EFFECT MERCK PATENT GMBH (DE) 2011-08-10 EP disclosed
US-7060823-B2 5-aminoalkyl-pyrazolo[4,3-d]pyrimidines with a phosphodiesterase v-inhibiting effect MERCK PATENT GMBH (DE) 2006-06-13 US disclosed
US-20040029900-A1 5-Aminoalkyl-pyrazolo[4,3-d]pyrimidines with a phosphodiesterase v-inhibiting effect MERCK PATENT GMBH (DE) 2004-02-12 US disclosed
EP-1296986-A1 5-AMINOALKYL-PYRAZOLO 4,3-D]PYRIMIDINES WITH A PHOSPHODIESTERASE V-INHIBITING EFFECT MERCK PATENT GmbH (DE) 2003-04-02 EP disclosed
WO-2002000660-A1 5-AMINOALKYL-PYRAZOLO[4,3-D]PYRIMIDINES WITH A PHOSPHODIESTERASE V-INHIBITING EFFECT MERCK PATENT GMBH (DE) 2002-01-03 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-20040029900-A1 5-Aminoalkyl-pyrazolo[4,3-d]pyrimidines with a phosphodiesterase v-inhibiting effect PDE3A, PDE5A, PDE3B BCDIN3D 544/4885PDE5A 2/4885PDE11A 22/4885

“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.