SCHEMBL4774046

SCHEMBL4774046

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.33
PDE5A O76074 1/20 0.33
PDE4B Q07343 3/20 0.32
BCDIN3D Q7Z5W3 1/20 0.32
PDE4D Q08499 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
PGR P06401 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
AAK1 Q2M2I8 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
SCHEMBL4774041 1.00 NR3C1 (0.33) NR3C1PDE5APDE4BBCDIN3DPDE4D
SCHEMBL4771737 0.90 PDE4B (0.33) NR3C1PDE4BBCDIN3DADORA2A
SCHEMBL4771752 0.90 PDE4B (0.33) NR3C1PDE4BBCDIN3DADORA2A
SCHEMBL4772382 0.88 NR3C1 (0.36) NR3C1PDE5APDE4BPGRADORA3
SCHEMBL4772379 0.88 NR3C1 (0.36) NR3C1PDE5APDE4BPGRADORA3
SCHEMBL4777655 0.87 ADORA3 (0.33) NR3C1PDE5APDE4BBCDIN3DADORA3
SCHEMBL4774094 0.86 ADORA2A (0.38) NR3C1PDE4BADORA2AADORA1
SCHEMBL4774102 0.86 ADORA2A (0.38) NR3C1PDE4BADORA2AADORA1
SCHEMBL4774033 0.84 HTT (0.33) BCDIN3DADORA3ADORA2AADORA1
SCHEMBL4774040 0.84 HTT (0.33) BCDIN3DADORA3ADORA2AADORA1

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 1688/4885PDE5A 3/4885PDE4B 4/4885

“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.