SCHEMBL4776279

SCHEMBL4776279

CCn1ncc2c(C3CCCCC3)c(CCC(=O)O)c(-c3ccccc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
GLA P06280 1/20 0.36
PDE4B Q07343 2/20 0.36
MAT2A P31153 3/20 0.35
PDE4D Q08499 6/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDE5A O76074 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL4779577 0.82 PDE4B (0.47) USP2PDE4BKDM4EALDH1A1MAPT
SCHEMBL4772785 0.81 GLA (0.46) GLAPDE4BKDM4EALDH1A1MAPT
SCHEMBL4772588 0.81 KDM5A (0.37) PIK3CAMTORUSP2PDE4BMAT2A
SCHEMBL4776520 0.81 PIK3CA (0.37) PIK3CAMTORPDE4BMAT2APDE4D
SCHEMBL4776513 0.81 PIK3CA (0.37) PIK3CAMTORPDE4BMAT2APDE4D
SCHEMBL4772261 0.79 PDE5A (0.44) POLBPDE5AKDM4EALDH1A1MAPT
SCHEMBL4776084 0.76 TBXAS1 (0.42) PIK3CAMTORGLAHDAC6KDM4E
SCHEMBL5116424 0.75 PIK3CA (0.39) PIK3CAMTORPDE4BPDE4DPDE5A
SCHEMBL4772332 0.74 RXRA (0.40) POLBGLAPDE4BKDM4EALDH1A1
SCHEMBL5117171 0.73 PDE5A (0.37) PIK3CAMTORPDE4BMAT2APDE5A

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 4 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
CN-1980927-A Pyrazolopyridine derivatives ASTELLAS PHARMA INC (JP) 2007-06-13 CN 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 3028/4885USP2 4311/4885

“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.