SCHEMBL6713720

SCHEMBL6713720

CCCc1nn(C)c2c(=S)[nH]c(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OCC)nc12

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.84
PDE3B Q13370 3/20 0.72
PDE3A Q14432 3/20 0.72
ABCC4 O15439 2/20 0.72
PDE2A O00408 1/20 0.72
ABCC5 O15440 1/20 0.72
PDE6D O43924 1/20 0.72
PDE8A O60658 1/20 0.72
PDE9A O76083 1/20 0.72
ABCB11 O95342 1/20 0.72
CYP3A4 P08684 1/20 0.72
HTR1A P08908 1/20 0.72
PDE6A P16499 1/20 0.72
PDE6G P18545 1/20 0.72
PDE4A P27815 1/20 0.72
ADORA2A P29274 1/20 0.72
ADORA1 P30542 1/20 0.72
ADRA1A P35348 1/20 0.72
PDE6B P35913 1/20 0.72
PDE6C P51160 1/20 0.72

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
SCHEMBL6716511 0.93 PDE5A (0.84) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL6715681 0.91 PDE5A (0.71) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL6719179 0.91 PDE5A (0.84) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL1141 0.91 PDE5A (1.00) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL30199797 0.91 PDE5A (1.00) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL15406587 0.90 PDE5A (0.79) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL6713790 0.89 PDE5A (0.85) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL14836841 0.88 PDE5A (0.94) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL28890961 0.88 KMT2A (0.71) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL5450729 0.88 PDE5A (0.66) PDE5APDE3BPDE3AABCC4PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111297868-A Use of a composition comprising a heterocyclic compound for the manufacture of a medicament for the treatment of phosphodiesterase mediated diseases 黄泳华 2020-06-19 CN claimed
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 claimed
CN-111297868-A Use of a composition comprising a heterocyclic compound for the manufacture of a medicament for the treatment of phosphodiesterase mediated diseases 黄泳华 2020-06-19 CN disclosed
EP-1395593-A4 NOVEL PYRAZOLOPYRIMIDINETHIONE DERIVATIVES. PREPARATION METHODS THEREOF AND THEIR USE AS THERAPEUTICS FOR ERECTILE DYSFUNCTION KOREA INST SCI & TECH (KR) 2004-11-10 EP disclosed
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
EP-1395593-A1 NOVEL PYRAZOLOPYRIMIDINETHIONE DERIVATIVES. PREPARATION METHODS THEREOF AND THEIR USE AS THERAPEUTICS FOR ERECTILE DYSFUNCTION KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-03-10 EP disclosed
WO-2002102802-A1 NOVEL PYRAZOLOPYRIMIDINETHIONE DERIVATIVES. PREPARATION METHODS THEREOF AND THEIR USE AS THERAPEUTICS FOR ERECTILE DYSFUNCTION KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-12-27 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-20040176371-A1 Novel pyrazolopyrimidinethione derivatives, preparation methods thereof and their use as therapeutics for erectile dysfunction PDE3B, PDE3A, PDE5A PDE5A 3/4885PDE3B 1/4885PDE3A 2/4885

“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.