Sugi Predict

Sugi Predict / Compounds / SCHEMBL333030

SCHEMBL333030

SCHEMBL333030

COC(=O)c1nn(CCOCC(F)(F)F)c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 6/20 0.35
▸ KMT2A Q03164 6/20 0.35
▸ PKM P14618 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CACNA1G O43497 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ CACNA1I Q9P0X4 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ CYP1A2 P05177 3/20 0.30
▸ CYP3A4 P08684 3/20 0.30
▸ ADORA3 P0DMS8 3/20 0.30
▸ MAPT P10636 3/20 0.30
▸ CYP2C9 P11712 3/20 0.30
▸ CYP2C19 P33261 3/20 0.30
▸ TSHR P16473 2/20 0.30
▸ NFKB1 P19838 2/20 0.30
▸ CACNA1C Q13936 2/20 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
SCHEMBL8294512 0.91 CACNA1G (0.32) SMN1; SMN2POLBCACNA1GCACNA1HCACNA1I
SCHEMBL331948 0.90 SMN1; SMN2 (0.37) SMN1; SMN2POLBMEN1KMT2APKM
SCHEMBL332681 0.90 MEN1 (0.36) SMN1; SMN2POLBMEN1KMT2APKM
SCHEMBL331776 0.86 SMN1; SMN2 (0.43) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL4039997 0.85 POLB (0.44) SMN1; SMN2POLBPKMALDH1A1MAPT
SCHEMBL332114 0.85 SMN1; SMN2 (0.40) SMN1; SMN2POLBMEN1KMT2APKM
SCHEMBL331351 0.85 SMN1; SMN2 (0.45) SMN1; SMN2POLBMEN1KMT2APKM
SCHEMBL331219 0.85 SMN1; SMN2 (0.43) SMN1; SMN2POLBMEN1KMT2APKM
SCHEMBL330524 0.85 SMN1; SMN2 (0.40) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL331689 0.85 SMN1; SMN2 (0.38) SMN1; SMN2POLBMEN1KMT2AALDH1A1

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 19 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
EP-1620437-B1 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION PFIZER LTD (GB) 2009-06-17 — — EP disclosed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 — — US disclosed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 — — US disclosed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 — — 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
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 (4 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 SMN1; SMN2 2626/4885POLB 4781/4885MEN1 702/4885
US-20050245544-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 SMN1; SMN2 2626/4885POLB 4781/4885MEN1 702/4885
US-20070270412-A1 NOVEL PHARMACEUTICALS ABCB11, PCSK9, SLC10A1 SMN1; SMN2 2626/4885POLB 4781/4885MEN1 702/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 SMN1; SMN2 2626/4885POLB 4781/4885MEN1 702/4885

“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.