SCHEMBL332176

SCHEMBL332176

COC(=O)c1nn(CCOCC(F)(F)F)c(C(N)=O)c1N

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MAPK8 P45983 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
PDE5A O76074 1/20 0.30
CYP1A2 P05177 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL332149 0.89 KDM4E (0.30) KDM4EL3MBTL1
SCHEMBL333030 0.84 SMN1; SMN2 (0.38) CACNA1GCACNA1HCACNA1IALDH1A1CYP1A2
SCHEMBL8294512 0.84 CACNA1G (0.32) CACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL333012 0.84 ALDH1A1 (0.33) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4039900 0.84 GAA (0.37) CACNA1GCACNA1HCACNA1IGAAMAPK8
SCHEMBL331349 0.83 ALDH1A1 (0.36) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL331739 0.83 KDM4E (0.30) KDM4EL3MBTL1CYP1A2SMN1; SMN2
SCHEMBL331072 0.83 CYP1A2 (0.32) KDM4EL3MBTL1CYP1A2SMN1; SMN2
SCHEMBL5247804 0.81 LMNA (0.34) CACNA1GCACNA1HCACNA1IKDM4EGAA
SCHEMBL8263440 0.81 PDE5A (0.35) CACNA1GCACNA1HCACNA1IPDE5A

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 25 patents — showing the first 20. 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
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
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-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
US-7262192-B2 Substituted pyrazolo[4,3-d]pyrimidines and their use as PDE-5 inhibitors PFIZER INC. (US) 2007-08-28 US disclosed
US-7262192-B2 Substituted pyrazolo[4,3-d]pyrimidines and their use as PDE-5 inhibitors PFIZER INC. (US) 2007-08-28 US disclosed
US-7262192-B2 Substituted pyrazolo[4,3-d]pyrimidines and their use as PDE-5 inhibitors PFIZER INC. (US) 2007-08-28 US disclosed
EP-1689751-A1 5,7-DIAMINOPYRAZOLO¬4,3-D|PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY Pfizer Limited (GB) 2006-08-16 EP disclosed
CN-1780841-A 5,7-diaminopyrazolo[4,3-d]pyrimidines useful in the traetment of hypertension PFIZER LTD (GB) 2006-05-31 CN disclosed
WO-2006046135-A2 PYRAZOLO[4,3-D] PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-05-04 WO disclosed
US-20050245544-A1 Novel pharmaceuticals AMPLIFIED PROTEOMICS INC. 2005-11-03 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
WO-2005049616-A1 5,7-DIAMINOPYRAZOLO [4,3-d] PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LIMITED (GB) 2005-06-02 WO disclosed
US-20050043325-A1 Novel pharmaceuticals PFIZER INC 2005-02-24 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 (3 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-20050043325-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 CACNA1G 2608/4885CACNA1H 2577/4885CACNA1I 1802/4885
US-20050245544-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 CACNA1G 2608/4885CACNA1H 2577/4885CACNA1I 1802/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 CACNA1G 2608/4885CACNA1H 2577/4885CACNA1I 1802/4885

“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.