SCHEMBL4778867

SCHEMBL4778867

CCn1ncc2c(-c3ccnc(Cl)c3)c(C=O)c(-c3ccccc3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.40
ADORA1 P30542 2/20 0.37
KDM4E B2RXH2 4/20 0.36
CASP1 P29466 4/20 0.36
CASP7 P55210 4/20 0.36
MAPK1 P28482 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ATM Q13315 2/20 0.36
MAPT P10636 1/20 0.36
MAT2A P31153 1/20 0.34
TGFBR1 P36897 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPK14 Q16539 1/20 0.33
NR3C1 P04150 2/20 0.32
BCDIN3D Q7Z5W3 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL4774102 0.88 ADORA2A (0.38) ADORA2AADORA1KDM4ECASP1CASP7
SCHEMBL4774094 0.88 ADORA2A (0.38) ADORA2AADORA1KDM4ECASP1CASP7
SCHEMBL4772590 0.86 KDM4E (0.41) ADORA2AADORA1KDM4ECASP1CASP7
SCHEMBL4778052 0.86 KDM4E (0.38) ADORA2AADORA1KDM4ECASP1CASP7
SCHEMBL4778624 0.86 MAPT (0.36) ADORA2AADORA1MAPK1ALDH1A1HSD17B10
SCHEMBL27682165 0.84 ADORA2A (0.41) ADORA2AADORA1KDM4ECASP1CASP7
SCHEMBL4774431 0.83 KDM4E (0.37) ADORA2AADORA1KDM4ECASP1CASP7
SCHEMBL4777655 0.83 ADORA3 (0.33) ADORA2AADORA1MAPTTGFBR1ADORA3
SCHEMBL27682164 0.83 ADORA2A (0.41) ADORA2AADORA1KDM4ECASP1CASP7
SCHEMBL4777489 0.83 TBXAS1 (0.44) ADORA2AADORA1KDM4ECASP1CASP7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763528-A1 PYRAZOLOPYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2007-03-21 EP claimed
WO-2006004188-A1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-01-12 WO claimed
US-20060004003-A1 Pyrazolopyridine derivatives ASTELLAS PHARMA INC. (JP) 2006-01-05 US claimed
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 ADORA2A 1477/4885ADORA1 828/4885KDM4E 2228/4885

“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.