SCHEMBL4778740

SCHEMBL4778740

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
PDE10A Q9Y233 2/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
BCDIN3D Q7Z5W3 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
RECQL P46063 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4770195 0.91 SIGMAR1 (0.33) SIGMAR1PDE10APSEN1PSEN2APH1B
SCHEMBL4778882 0.88 PDE10A (0.30) PDE10A
SCHEMBL4769971 0.88 ADORA3 (0.34) PDE10APSEN1PSEN2APH1BNCSTN
SCHEMBL4772232 0.87 MAPT (0.35) SIGMAR1PDE10APSEN1PSEN2APH1B
SCHEMBL4777843 0.86 NR3C1 (0.32) SIGMAR1BCDIN3DMAPTTSHRNPSR1
SCHEMBL4777846 0.86 NR3C1 (0.32) SIGMAR1BCDIN3DMAPTTSHRNPSR1
SCHEMBL4769897 0.85 SIGMAR1 (0.32) SIGMAR1
SCHEMBL4777581 0.85 PDE5A (0.30)
SCHEMBL4772879 0.85 SIGMAR1 (0.34) SIGMAR1PDE10APSEN1PSEN2APH1B
SCHEMBL4776510 0.83 SIGMAR1 (0.33) SIGMAR1PDE10APSEN1PSEN2APH1B

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 SIGMAR1 1838/4885PDE10A 22/4885PSEN1 1847/4885

“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.