SCHEMBL332682

SCHEMBL332682

COC(=O)c1c([N+](=O)[O-])c(C(=O)O)nn1C(C)OCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.32
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 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
SCHEMBL331414 0.92 POLB (0.32) POLBMEN1KMT2ASMN1; SMN2PKM
SCHEMBL4216960 0.73 SMN1; SMN2 (0.44) POLBSMN1; SMN2
SCHEMBL7003999 0.72 MEN1 (0.50) POLBMEN1KMT2ASMN1; SMN2PKM
SCHEMBL332681 0.70 MEN1 (0.36) POLBMEN1KMT2ASMN1; SMN2PKM
SCHEMBL27623319 0.70 MEN1 (0.33) POLBMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL333030 0.67 SMN1; SMN2 (0.38) POLBMEN1KMT2ASMN1; SMN2PKM
SCHEMBL5370483 0.67 MEN1 (0.32) POLBMEN1KMT2APKMALDH1A1
SCHEMBL8295306 0.66 POLB (0.39) POLBMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27623414 0.66 MEN1 (0.40) MEN1KMT2ASMN1; SMN2PKMALDH1A1
SCHEMBL331565 0.66 KMT2A (0.38) POLBMEN1KMT2ASMN1; SMN2ALDH1A1

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
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-7572799-B2 Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors PFIZER INC (US) 2009-08-11 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
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

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-20050245544-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 POLB 4781/4885MEN1 702/4885KMT2A 4632/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 POLB 4781/4885MEN1 702/4885KMT2A 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.