SCHEMBL6362154

SCHEMBL6362154

[2H]C([2H])([2H])n1nc(CCC)c([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.32
PKM P14618 1/20 0.32
PDE5A O76074 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TERT O14746 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
SCHEMBL1115 0.90 SMN1; SMN2 (0.76) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL6365491 0.88 SMN1; SMN2 (0.82) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL8055574 0.88 SMN1; SMN2 (0.48) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL7847021 0.84 SMN1; SMN2 (0.90) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL6630720 0.81 SMN1; SMN2 (0.53) SMN1; SMN2MAPTNPC1RAB9APDE5A
SCHEMBL13742739 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL1196 0.80 SMN1; SMN2 (0.58) SMN1; SMN2MAPTNPC1MEN1KMT2A
SCHEMBL8065340 0.79 SMN1; SMN2 (0.57) SMN1; SMN2MAPTNPC1RAB9APKM
SCHEMBL27540420 0.78 SMN1; SMN2 (0.58) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL1452 0.77 SMN1; SMN2 (1.00) SMN1; SMN2MAPTNPC1RAB9ALMNA

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
US-20090270425-A1 3-(DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)-4-PROPOXYBENZENESULFONAMIDE DERIVATIVES AND METHODS OF USE CONCERT PHARMACEUTICALS INC. (US) 2009-10-29 US disclosed
US-20090197899-A1 3-(Dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide Derivatives and Methods of Use CONCERT PHARMACEUTICALS INC. (US) 2009-08-06 US disclosed
US-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS AUSPEX PHARMACEUTICALS, INC. (US) 2008-08-14 US disclosed
US-20050069276-A1 Deuterated pyrazolopyrimidinones and drugs containing said compounds BDD BEROLINA DRUG DEVELOPMENT GMBH (DE) 2005-03-31 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-20090270425-A1 3-(DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)-4-PROPOXYBENZENESULFONAMIDE DERIVATIVES AND METHODS OF USE PDE5A, PDE3A, PDE3B SMN1; SMN2 2426/4885MAPT 3015/4885NPC1 2813/4885
US-20090197899-A1 3-(Dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide Derivatives and Methods of Use PDE5A, PDE3A, PDE3B SMN1; SMN2 2426/4885MAPT 3015/4885NPC1 2813/4885
US-20050069276-A1 Deuterated pyrazolopyrimidinones and drugs containing said compounds CHRM3, MPL, PFKP SMN1; SMN2 894/4885MAPT 1136/4885NPC1 4343/4885
US-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS PDE5A, PDE7A, PDE3A SMN1; SMN2 1886/4885MAPT 4520/4885NPC1 4013/4885

“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.