SCHEMBL5116424

SCHEMBL5116424

CCn1ncc2c(CC3CCCCC3)c(C(=O)O)c(-c3ccccc3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
PDE4D Q08499 6/20 0.37
PDE4B Q07343 2/20 0.36
TACR2 P21452 2/20 0.36
TACR3 P29371 2/20 0.36
OPRM1 P35372 2/20 0.36
RORC P51449 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL4779725 0.91 ADORA3 (0.47) PDE4B
SCHEMBL4774090 0.84 PDE1C (0.37) PIK3CAMTORPDE1APDE1BPDE1C
SCHEMBL4778518 0.84 RARB (0.37) PIK3CAMTORPDE1APDE1BPDE1C
SCHEMBL4778516 0.84 RARB (0.37) PIK3CAMTORPDE1APDE1BPDE1C
SCHEMBL4779577 0.77 PDE4B (0.47) PDE4B
SCHEMBL4776279 0.75 PIK3CA (0.38) PIK3CAMTORPDE4DPDE4BTACR2
SCHEMBL4776513 0.72 PIK3CA (0.37) PIK3CAMTORPDE4DPDE4BCKS1B
SCHEMBL4776520 0.72 PIK3CA (0.37) PIK3CAMTORPDE4DPDE4BCKS1B
SCHEMBL4772588 0.71 KDM5A (0.37) PIK3CAMTORPDE1APDE1BPDE1C
SCHEMBL4769463 0.71 FABP3 (0.38) PDE4B

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 2 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
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 PIK3CA 718/4885MTOR 3028/4885PDE1A 21/4885

“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.