SCHEMBL6716451

SCHEMBL6716451

CCCCOc1ccccc1-c1nc2c(CCC)nn(C)c2c(=S)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.66
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
HPGD P15428 1/20 0.66
PDE1A P54750 1/20 0.66
PDE1B Q01064 1/20 0.66
PDE1C Q14123 1/20 0.66
PDE3B Q13370 2/20 0.59
PDE3A Q14432 2/20 0.59
PDE6C P51160 1/20 0.47
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL5462416 0.95 PDE5A (0.67) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL5453341 0.92 PDE5A (0.77) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL6715674 0.90 PDE5A (0.61) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL5445759 0.89 PDE5A (0.63) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL6716572 0.88 PDE5A (0.63) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL6718781 0.88 PDE5A (0.85) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL6713800 0.82 KMT2A (0.61) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL31202656 0.82 PDE5A (0.86) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL799 0.82 PDE5A (0.86) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL5459779 0.80 PDE5A (0.64) PDE5AKMT2AMEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176371-A1 Novel pyrazolopyrimidinethione derivatives, preparation methods thereof and their use as therapeutics for erectile dysfunction KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-09-09 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-20040176371-A1 Novel pyrazolopyrimidinethione derivatives, preparation methods thereof and their use as therapeutics for erectile dysfunction PDE3B, PDE3A, PDE5A PDE5A 3/4885KMT2A 4233/4885MEN1 4650/4885

“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.