SCHEMBL4772833

SCHEMBL4772833

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.33
NR3C1 P04150 3/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PDE10A Q9Y233 1/20 0.31
BCDIN3D Q7Z5W3 1/20 0.31
PDE5A O76074 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
KMO O15229 1/20 0.30
ESR1 P03372 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
SCHEMBL4772839 1.00 DYRK1A (0.33) DYRK1ANR3C1ADORA3ADORA2AADORA1
SCHEMBL4777843 0.90 NR3C1 (0.32) NR3C1BCDIN3DPDE4B
SCHEMBL4777846 0.90 NR3C1 (0.32) NR3C1BCDIN3DPDE4B
SCHEMBL4769887 0.89 BCDIN3D (0.31) BCDIN3D
SCHEMBL4769895 0.89 BCDIN3D (0.31) BCDIN3D
SCHEMBL4770178 0.86 PDE5A (0.34) PDE5A
SCHEMBL4770193 0.86 PDE5A (0.34) PDE5A
SCHEMBL4769971 0.86 ADORA3 (0.34) DYRK1AADORA3ADORA2AADORA1PDE10A
SCHEMBL4769903 0.84 HPGD (0.34) NR3C1ADORA3ADORA2AADORA1PDE4A
SCHEMBL4769892 0.84 HPGD (0.34) NR3C1ADORA3ADORA2AADORA1PDE4A

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 DYRK1A 2296/4885NR3C1 1688/4885ADORA3 651/4885

“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.