SCHEMBL4777643

SCHEMBL4777643

CCOC(=O)CCc1c(C)nc2c(cnn2CC)c1-c1cncc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 3/20 0.41
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GMNN O75496 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
THPO P40225 1/20 0.40

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
SCHEMBL4777593 0.89 GLA (0.39) ALDH1A1MAPK1HPGDL3MBTL1MEN1
SCHEMBL4770110 0.85 LMNA (0.53) ALDH1A1MAPK1HPGDMEN1KMT2A
SCHEMBL4771822 0.83 MAPT (0.35) ALDH1A1MAPK1HPGDL3MBTL1MEN1
SCHEMBL4775036 0.83 TSHR (0.39) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL4776419 0.83 TSHR (0.36) ALDH1A1MAPK1HPGDL3MBTL1MEN1
SCHEMBL4772269 0.80 LMNA (0.36) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL4772453 0.80 MEN1 (0.36) ALDH1A1MAPK1HPGDL3MBTL1MEN1
SCHEMBL4776022 0.80 TSHR (0.43) ALDH1A1MAPK1HPGDL3MBTL1MEN1
SCHEMBL4774667 0.80 PDE4B (0.35) ALDH1A1MAPK1HPGDL3MBTL1MEN1
SCHEMBL4772262 0.80 TSHR (0.41) ALDH1A1MAPK1L3MBTL1MEN1KMT2A

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 5 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
EP-1763528-A1 PYRAZOLOPYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2007-03-21 EP disclosed
WO-2006004188-A1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-01-12 WO 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 ALDH1A1 774/4885MAPK1 273/4885HPGD 420/4885

“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.