SCHEMBL4774090

SCHEMBL4774090

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 2/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
ADORA1 P30542 2/20 0.35
ADORA2A P29274 1/20 0.35
PDE5A O76074 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE9A O76083 2/20 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
SCHEMBL4778518 0.90 RARB (0.37) PDE1CPDE1APDE1BADORA1ADORA2A
SCHEMBL4778516 0.90 RARB (0.37) PDE1CPDE1APDE1BADORA1ADORA2A
SCHEMBL5116424 0.84 PIK3CA (0.39) PDE1CPDE1APDE1BADORA1ADORA2A
SCHEMBL4772588 0.84 KDM5A (0.37) PDE1CPDE1APDE1BADORA1PDE5A
SCHEMBL4779725 0.81 ADORA3 (0.47) ALDH1A1MAPTMAPK1HSD17B10PDE4B
SCHEMBL4772590 0.78 KDM4E (0.41) ADORA1ADORA2APIK3CAMTORALDH1A1
SCHEMBL4779655 0.76 PDE4B (0.40) PDE1CPDE1APDE1BPIK3CAMTOR
SCHEMBL4777473 0.76 KDM4E (0.39) ADORA1ADORA2APIK3CAMTORALDH1A1
SCHEMBL4776513 0.74 PIK3CA (0.37) PDE5APIK3CAMTORHPGDRAB9A
SCHEMBL4776520 0.74 PIK3CA (0.37) PDE5APIK3CAMTORHPGDRAB9A

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 PDE1C 25/4885PDE1A 21/4885PDE1B 20/4885

“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.