SCHEMBL4779577

SCHEMBL4779577

CCOC(=O)c1c(-c2ccccc2)nc2c(cnn2CC)c1C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.47
ADORA3 P0DMS8 6/20 0.46
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
THPO P40225 1/20 0.43

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 0.85 ADORA3 (0.47) PDE4BADORA3MAPTMEN1CYP1A2
SCHEMBL4776279 0.82 PIK3CA (0.38) PDE4BMAPTALDH1A1USP2MAPK1
SCHEMBL4774023 0.81 MAPT (0.56) PDE4BADORA3MAPTMEN1CYP1A2
SCHEMBL4772588 0.80 KDM5A (0.37) PDE4BMAPTMEN1KMT2AALDH1A1
SCHEMBL4776520 0.80 PIK3CA (0.37) PDE4BSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL4776513 0.80 PIK3CA (0.37) PDE4BSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL4772261 0.78 PDE5A (0.44) MAPTALDH1A1SMN1; SMN2NPSR1MAPK1
SCHEMBL4772372 0.77 MAPT (0.47) PDE4BADORA3MAPTMEN1CYP1A2
SCHEMBL5116424 0.77 PIK3CA (0.39) PDE4B
SCHEMBL4776614 0.75 KDM4E (0.46) PDE4BADORA3MAPTMEN1CYP1A2

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 PDE4B 4/4885ADORA3 651/4885MAPT 2816/4885

“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.