SCHEMBL4772379

SCHEMBL4772379

CCn1ncc2c(-c3ccnc(Cl)c3)c(/C=C/C(=O)O)c(C)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.36
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
BLM P54132 2/20 0.34
MEN1 O00255 1/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
PMP22 Q01453 1/20 0.34

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
SCHEMBL4772382 1.00 NR3C1 (0.36) NR3C1MAPTTSHRNPSR1SMN1; SMN2
SCHEMBL4774046 0.88 NR3C1 (0.33) NR3C1PDE4BPGRPDE5AADORA3
SCHEMBL4774102 0.88 ADORA2A (0.38) NR3C1MAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL4774041 0.88 NR3C1 (0.33) NR3C1PDE4BPGRPDE5AADORA3
SCHEMBL4774094 0.88 ADORA2A (0.38) NR3C1MAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL4770164 0.87 MAT2A (0.37) NR3C1PDE4BMAT2APDE5A
SCHEMBL4770172 0.87 MAT2A (0.37) NR3C1PDE4BMAT2APDE5A
SCHEMBL4778624 0.86 MAPT (0.36) NR3C1MAPTTSHRNPSR1SMN1; SMN2
SCHEMBL4769886 0.85 MAT2A (0.34) NR3C1PDE4BMAT2APDE5A
SCHEMBL4769879 0.85 MAT2A (0.34) NR3C1PDE4BMAT2APDE5A

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 NR3C1 1688/4885MAPT 2816/4885TSHR 1221/4885

“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.