SCHEMBL331892

SCHEMBL331892

CCOCCn1nc(C(=O)O)c2cc(Cl)cc(Nc3ccc(=O)n(C)c3)c21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
EPHX2 P34913 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 3/20 0.34
PKM P14618 1/20 0.34
HCAR3 P49019 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE5A O76074 2/20 0.34
POLB P06746 2/20 0.33
HPGD P15428 2/20 0.33
ESR2 Q92731 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL10286406 0.86 EPHX2 (0.33) EPHX2TSHRMAP2K2MAP2K1
SCHEMBL332800 0.83 HPGD (0.43) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL13763120 0.79 CDK4 (0.35) EPHX2MAP2K2MAP2K1
SCHEMBL332296 0.77 PDE5A (0.45) ALDH1A1PDE5AMKNK1MKNK2TSHR
SCHEMBL4037986 0.70 PDE5A (0.43) PDE5A
SCHEMBL13756992 0.69 PDE5A (0.40) PDE5AMKNK1MKNK2
SCHEMBL10286946 0.67 BRD4 (0.36) MAPTNPC1PDE5A
SCHEMBL12768916 0.66 PDE5A (0.48) PDE5A
SCHEMBL332006 0.63 PDE5A (0.55) PDE5A
SCHEMBL331424 0.63 PDE5A (0.57) MAPTKMT2AMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097621-B2 Pyrazolo[4,3-d]pyrimidines as phosphodiesterase inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
US-8097621-B2 Pyrazolo[4,3-d]pyrimidines as phosphodiesterase inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-1689751-B1 5,7-DIAMINOPYRAZOLO[4,3-D]PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LTD (GB) 2010-10-20 EP disclosed
US-20090247539-A1 Novel Pharmaceuticals PFIZER INC 2009-10-01 US disclosed
US-20090247539-A1 Novel Pharmaceuticals PFIZER INC 2009-10-01 US disclosed
US-7572799-B2 Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors PFIZER INC (US) 2009-08-11 US disclosed
US-7572799-B2 Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors PFIZER INC (US) 2009-08-11 US disclosed
WO-2005049616-A1 5,7-DIAMINOPYRAZOLO [4,3-d] PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LIMITED (GB) 2005-06-02 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-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 MAPT 1823/4885EPHX2 918/4885KMT2A 4632/4885

“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.