SCHEMBL2535567

SCHEMBL2535567

CCOC(=O)C(=CNc1ccnn1Cc1ccccc1)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
STAT1 P42224 1/20 0.56
DHODH Q02127 3/20 0.51
GAA P10253 3/20 0.51
MAPT P10636 5/20 0.50
NPSR1 Q6W5P4 5/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
TDP1 Q9NUW8 2/20 0.48

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
SCHEMBL11789499 0.91 NPSR1 (0.50) LMNASTAT1DHODHGAAMAPT
SCHEMBL583356 0.87 NPSR1 (0.48) LMNASTAT1DHODHGAAMAPT
SCHEMBL583550 0.85 DHODH (0.57) LMNASTAT1DHODHGAAMAPT
SCHEMBL5262156 0.85 LMNA (0.44) LMNASTAT1DHODHGAAMAPT
SCHEMBL8147796 0.85 LMNA (0.44) LMNASTAT1DHODHGAAMAPT
SCHEMBL11791077 0.83 MAPT (0.52) LMNASTAT1DHODHGAAMAPT
SCHEMBL2535569 0.82 LMNA (0.38) LMNASTAT1MAPTNPSR1SMN1; SMN2
SCHEMBL6289967 0.81 LMNA (0.71) LMNASTAT1DHODHGAAMAPT
SCHEMBL10855235 0.80 DHODH (0.51) LMNASTAT1DHODHGAAMAPT
SCHEMBL11878964 0.79 LMNA (0.45) LMNASTAT1DHODHGAAMAPT

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 5 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
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

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-20110257402-A1 PYRRAZOLOPYRIDINE COMPOUNDS AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, GRIN3A, TACR1 LMNA 4398/4885STAT1 3331/4885DHODH 2557/4885

“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.