SCHEMBL8295306

SCHEMBL8295306

COC(=O)c1nn(CC(C)C)c(C(=O)OC)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
DCTPP1 Q9H773 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
SCHEMBL8296737 0.89 POLB (0.37) POLBHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL332155 0.82 POLB (0.36) POLBHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL8295680 0.82 KMT2A (0.39) POLBHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL28762839 0.82 POLB (0.36) POLBHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL27674176 0.81 SMN1; SMN2 (0.39) POLBHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL331614 0.81 SMN1; SMN2 (0.39) POLBHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL8296901 0.81 KMT2A (0.42) POLBHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL4703006 0.80 LMNA (0.40) POLBHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL8253700 0.77 MEN1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2APDE4A
SCHEMBL6995149 0.76 SMN1; SMN2 (0.52) HTTALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689752-B1 PYRAZOLOPYRIMIDINES PFIZER LTD (GB) 2008-02-27 EP disclosed
US-20070105877-A1 Pyrazolopyrimidines PFIZER INC 2007-05-10 US disclosed
US-20070105877-A1 Pyrazolopyrimidines PFIZER INC 2007-05-10 US disclosed
WO-2005049617-A1 PYRAZOLOPYRIMIDINES 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-20070105877-A1 Pyrazolopyrimidines DPYD, CYP2D6, TPMT POLB 598/4885HTT 2422/4885ALDH1A1 99/4885

“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.