SCHEMBL4778052

SCHEMBL4778052

CCn1ncc2c(-c3ccc(Cl)nc3)c(C=O)c(-c3ccccc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
ATM Q13315 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ERN1 O75460 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
PTGS2 P35354 2/20 0.33
BCDIN3D Q7Z5W3 1/20 0.33
NR3C1 P04150 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL4772590 0.88 KDM4E (0.41) KDM4EALDH1A1MAPK1CASP1CASP7
SCHEMBL4776350 0.88 HPGD (0.35) KDM4EALDH1A1MAPK1CASP1CASP7
SCHEMBL4776341 0.88 HPGD (0.35) KDM4EALDH1A1MAPK1CASP1CASP7
SCHEMBL4778867 0.86 ADORA2A (0.40) KDM4EALDH1A1MAPK1CASP1CASP7
SCHEMBL4777489 0.84 TBXAS1 (0.44) KDM4EALDH1A1MAPK1CASP1CASP7
SCHEMBL4770239 0.83 KDM4E (0.39) KDM4EALDH1A1MAPK1CASP1CASP7
SCHEMBL5118003 0.83 PIK3CA (0.39) KDM4EALDH1A1MAPK1CASP1CASP7
SCHEMBL4774431 0.83 KDM4E (0.37) KDM4EALDH1A1MAPK1CASP1CASP7
SCHEMBL27662539 0.82 KDM4E (0.38) KDM4EALDH1A1MAPK1CASP1CASP7
SCHEMBL4778122 0.81 KDM4E (0.37) KDM4EALDH1A1MAPK1CASP1CASP7

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 KDM4E 2228/4885ALDH1A1 774/4885MAPK1 273/4885

“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.