SCHEMBL6207658

SCHEMBL6207658

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)nc12

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.86
PDE3B Q13370 3/20 0.86
PDE3A Q14432 3/20 0.86
ABCC4 O15439 2/20 0.86
PDE2A O00408 1/20 0.86
ABCC5 O15440 1/20 0.86
PDE6D O43924 1/20 0.86
PDE8A O60658 1/20 0.86
PDE9A O76083 1/20 0.86
ABCB11 O95342 1/20 0.86
CYP3A4 P08684 1/20 0.86
HTR1A P08908 1/20 0.86
PDE6A P16499 1/20 0.86
PDE6G P18545 1/20 0.86
PDE4A P27815 1/20 0.86
ADORA2A P29274 1/20 0.86
ADORA1 P30542 1/20 0.86
ADRA1A P35348 1/20 0.86
PDE6B P35913 1/20 0.86
PDE6C P51160 1/20 0.86

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
Sildenafil SCHEMBL5683880 0.93 PDE5A (1.00) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL1895 0.93 PDE5A (1.00) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL29361663 0.93 PDE5A (1.00) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL6689399 0.92 PDE5A (0.98) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL584340 0.92 PDE5A (0.98) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL5691322 0.92 PDE5A (0.98) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL7915871 0.92 PDE5A (0.98) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL1801562 0.92 PDE5A (0.98) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL19410952 0.92 PDE5A (0.98) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL28417921 0.92 PDE5A (0.89) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994115-B1 Process for preparation of pyrazolo-(4,3-d)pyrimidin-7-ones and intermediates thereof PFIZER LTD (GB) 2005-03-02 EP disclosed
US-20030069422-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof DUNN PETER JAMES (GB) 2003-04-10 US disclosed
US-20010009962-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof DUNN PETER JAMES (GB) 2001-07-26 US disclosed
US-6207829-B1 CYCLIZATION OF A CORRESPONDING PYRAZOLE COMPOUND PFIZER INC. 2001-03-27 US disclosed
EP-0994115-A2 Process for preparation of pyrazolo-(4,3-d)pyrimidin-7-ones and intermediates thereof Pfizer Limited (GB) 2000-04-19 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 (2 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-20010009962-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof UGT2B7, CYP3A7, TOP2B PDE5A 1483/4885PDE3B 551/4885PDE3A 833/4885
US-20030069422-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof UGT2B7, CYP3A7, TOP2B PDE5A 1483/4885PDE3B 551/4885PDE3A 833/4885

“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.