SCHEMBL4769971

SCHEMBL4769971

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PDE10A Q9Y233 1/20 0.34
DYRK1A Q13627 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
IDH1 O75874 1/20 0.31

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
SCHEMBL4778740 0.88 SIGMAR1 (0.33) PDE10APSEN1PSEN2APH1BNCSTN
SCHEMBL4778882 0.88 PDE10A (0.30) PDE10A
SCHEMBL4772833 0.86 DYRK1A (0.33) ADORA3ADORA2AADORA1PDE10ADYRK1A
SCHEMBL4772839 0.86 DYRK1A (0.33) ADORA3ADORA2AADORA1PDE10ADYRK1A
SCHEMBL4777581 0.82 PDE5A (0.30)
SCHEMBL4777655 0.82 ADORA3 (0.33) ADORA3ADORA2AADORA1PDE10A
SCHEMBL4774431 0.82 KDM4E (0.37) ADORA3ADORA2AADORA1PDE10APSEN1
SCHEMBL4774982 0.82 PSEN1 (0.35) ADORA3ADORA2AADORA1PDE10ADYRK1A
SCHEMBL4777660 0.82 PDE10A (0.37) ADORA3ADORA2AADORA1PDE10APSEN1
SCHEMBL4776179 0.80 MAPT (0.43)

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 3 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
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 ADORA3 651/4885ADORA2A 1477/4885ADORA1 828/4885

“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.