SCHEMBL4776513

SCHEMBL4776513

CCn1ncc2c(C3CCCCC3)c(/C=C/C(=O)O)c(-c3ccccc3)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PDE4B Q07343 4/20 0.36
RXRA P19793 1/20 0.35
NR4A1 P22736 1/20 0.35
RXRB P28702 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
ESR1 P03372 1/20 0.35
MAT2A P31153 3/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
PDE4D Q08499 4/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL4776520 1.00 PIK3CA (0.37) PIK3CAMTORPDE4BRXRANR4A1
SCHEMBL4774967 0.91 PDE4B (0.42) PIK3CAMTORPDE4BRXRANR4A1
SCHEMBL4774955 0.91 PDE4B (0.42) PIK3CAMTORPDE4BRXRANR4A1
SCHEMBL4772588 0.87 KDM5A (0.37) PIK3CAMTORPDE4BMAT2AHPGD
SCHEMBL4778518 0.85 RARB (0.37) PIK3CAMTORPDE4BESR1NPC1
SCHEMBL4778516 0.85 RARB (0.37) PIK3CAMTORPDE4BESR1NPC1
SCHEMBL4769955 0.84 PDE4B (0.37) PIK3CAMTORPDE4BMAT2APDE5A
SCHEMBL4769942 0.84 PDE4B (0.37) PIK3CAMTORPDE4BMAT2APDE5A
SCHEMBL4772301 0.82 SMN1; SMN2 (0.39) PIK3CAMTORPDE4BRXRANR4A1
SCHEMBL4772312 0.82 SMN1; SMN2 (0.39) PIK3CAMTORPDE4BRXRANR4A1

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 PIK3CA 718/4885MTOR 3028/4885PDE4B 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.