SCHEMBL4772675

SCHEMBL4772675

CCn1ncc2c(-c3cncc(C)c3)c(/C=C/C(=O)O)c(COC)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 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
SCHEMBL4772687 1.00 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1MAPTTSHRNPSR1
SCHEMBL4776057 0.94 SMN1; SMN2 (0.30) SMN1; SMN2ALDH1A1MAPTTSHRNPSR1
SCHEMBL4776041 0.94 SMN1; SMN2 (0.30) SMN1; SMN2ALDH1A1MAPTTSHRNPSR1
SCHEMBL4772412 0.92 MEN1 (0.33) SMN1; SMN2ALDH1A1MAPTTSHRNPSR1
SCHEMBL4772397 0.92 MEN1 (0.33) SMN1; SMN2ALDH1A1MAPTTSHRNPSR1
SCHEMBL4770200 0.91 NR3C1 (0.33) SMN1; SMN2ALDH1A1MAPTTSHRNPSR1
SCHEMBL4770211 0.91 NR3C1 (0.33) SMN1; SMN2ALDH1A1MAPTTSHRNPSR1
SCHEMBL4770000 0.90 DPP4 (0.31) SMN1; SMN2ALDH1A1MAPTTSHRNPSR1
SCHEMBL4769987 0.90 DPP4 (0.31) SMN1; SMN2ALDH1A1MAPTTSHRNPSR1
SCHEMBL4793457 0.90 PDE10A (0.34) NR3C1PDE10AMAT2A

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
US-7459451-B2 e.g. 1-Ethyl-4-(5-methyl-3-pyridyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid; phosphodiesterase (PDE)-IV inhibitor or tumor necrosis factor (TNF)- alpha antagonist; autoimmune diseases, antidepressant, anxiolytic agent; polychondritis, scleroderma, fibrosis, arthritis, Alzheimer's disease ASTELLAS PHARMA INC. (JP) 2008-12-02 US disclosed
EP-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP disclosed
EP-1763528-A1 PYRAZOLOPYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2007-03-21 EP disclosed
WO-2006004188-A1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-01-12 WO disclosed
US-20060004003-A1 Pyrazolopyridine derivatives ASTELLAS PHARMA INC. (JP) 2006-01-05 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-20060004003-A1 Pyrazolopyridine derivatives PDE4A, PDE3B, PDE5A SMN1; SMN2 2957/4885ALDH1A1 774/4885MAPT 2816/4885

“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.