SCHEMBL583550

SCHEMBL583550

CCOC(=O)C(=CNc1ccnn1CC)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.57
NPSR1 Q6W5P4 6/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 2/20 0.54
MAPT P10636 5/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP1A2 P05177 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 2/20 0.53
STAT1 P42224 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
RECQL P46063 1/20 0.46

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
SCHEMBL10855235 0.86 DHODH (0.51) DHODHNPSR1SMN1; SMN2GAAMAPT
SCHEMBL2535567 0.85 LMNA (0.56) DHODHNPSR1SMN1; SMN2GAAMAPT
SCHEMBL11789499 0.85 NPSR1 (0.50) DHODHNPSR1SMN1; SMN2GAAMAPT
SCHEMBL10961083 0.85 NPSR1 (0.50) DHODHNPSR1SMN1; SMN2GAAMAPT
SCHEMBL20418823 0.84 GAA (0.55) DHODHNPSR1SMN1; SMN2GAAMAPT
SCHEMBL3606132 0.84 SMN1; SMN2 (0.39) DHODHNPSR1SMN1; SMN2GAAMAPT
SCHEMBL11791077 0.82 MAPT (0.52) DHODHNPSR1SMN1; SMN2GAAMAPT
SCHEMBL583356 0.82 NPSR1 (0.48) DHODHNPSR1SMN1; SMN2GAAMAPT
SCHEMBL583369 0.80 GAA (0.70) DHODHNPSR1SMN1; SMN2GAAMAPT
SCHEMBL6289967 0.79 LMNA (0.71) DHODHNPSR1SMN1; SMN2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560974-B1 PYRRAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-01-27 EP disclosed
US-8487102-B2 Pyrrazolopyridine compounds as dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
EP-2560974-A1 PYRRAZOLOPYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-27 EP disclosed
EP-2124944-B1 Pyrazolo[3,4-b]pyridine derivatives as phosphodiesterase inhibitors RANBAXY LAB LTD (IN) 2012-02-15 EP disclosed
WO-2011131571-A1 PYRRAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-27 WO disclosed
US-20110257402-A1 PYRRAZOLOPYRIDINE COMPOUNDS AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 US disclosed
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-06-02 US disclosed
US-7915286-B2 Substituted pyrazolo [3,4-b] pyridines as phosphodiesterase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2011-03-29 US disclosed
EP-1113796-A4 FUSED PYRIDINE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL MYERS SQUIBB CO (US) 2003-07-30 EP disclosed
US-6326379-B1 ERECTILE DYSFUNCTION; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. 2001-12-04 US disclosed
US-6316438-B1 Fused pyridopyridazine inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB CO. 2001-11-13 US disclosed
EP-1113796-A1 FUSED PYRIDINE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2001-07-11 EP disclosed
WO-2000015222-A1 FUSED PYRIDINE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-23 WO disclosed
US-4012373-A ANTIINFLAMMATORY, CNS DEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1977-03-15 US disclosed
US-3983128-A CNS DEPRESSANTS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-09-28 US disclosed
US-3979399-A ATARACTIC, ANALGESIC, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-09-07 US disclosed
US-3966746-A ATARACTIC, ANALGESIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1976-06-29 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 (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-20110257402-A1 PYRRAZOLOPYRIDINE COMPOUNDS AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, GRIN3A, TACR1 DHODH 2557/4885NPSR1 8/4885SMN1; SMN2 4700/4885
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3B, PDE4B DHODH 732/4885NPSR1 2185/4885SMN1; SMN2 3467/4885

“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.