SCHEMBL4703006

SCHEMBL4703006

CC(C)Cn1nc(C(=O)O)c([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
POLB P06746 3/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL331829 0.86 LMNA (0.37) LMNAPOLBHTTNPC1SMN1; SMN2
SCHEMBL8295306 0.80 POLB (0.39) LMNAPOLBHTTNPC1SMN1; SMN2
SCHEMBL331842 0.80 MEN1 (0.35) LMNAPOLBHTTNPC1SMN1; SMN2
SCHEMBL28762839 0.79 POLB (0.36) LMNAPOLBHTTNPC1SMN1; SMN2
SCHEMBL332155 0.79 POLB (0.36) LMNAPOLBHTTNPC1SMN1; SMN2
SCHEMBL331722 0.77 MEN1 (0.39) POLBNPC1SMN1; SMN2KMT2AMEN1
SCHEMBL331635 0.75 MEN1 (0.41) NPC1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4705798 0.74 MEN1 (0.46) POLBSMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL330893 0.74 KMT2A (0.38) NPC1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL331886 0.73 MEN1 (0.39) POLBSMN1; SMN2KMT2AMEN1L3MBTL1

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 2 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

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 LMNA 4618/4885POLB 598/4885HTT 2422/4885

“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.