SCHEMBL4774102

SCHEMBL4774102

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.38
ADORA1 P30542 1/20 0.34
NR3C1 P04150 3/20 0.34
HPGD P15428 4/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CASP1 P29466 3/20 0.34
CASP7 P55210 3/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
ATM Q13315 2/20 0.34
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ESR1 P03372 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 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
SCHEMBL4774094 1.00 ADORA2A (0.38) ADORA2AADORA1NR3C1HPGDKDM4E
SCHEMBL4772379 0.88 NR3C1 (0.36) ADORA2AADORA1NR3C1HPGDKDM4E
SCHEMBL4772382 0.88 NR3C1 (0.36) ADORA2AADORA1NR3C1HPGDKDM4E
SCHEMBL4778867 0.88 ADORA2A (0.40) ADORA2AADORA1NR3C1HPGDKDM4E
SCHEMBL4772312 0.88 SMN1; SMN2 (0.39) HPGDKDM4EALDH1A1CASP1CASP7
SCHEMBL4772301 0.88 SMN1; SMN2 (0.39) HPGDKDM4EALDH1A1CASP1CASP7
SCHEMBL4776341 0.87 HPGD (0.35) ADORA2AADORA1NR3C1HPGDKDM4E
SCHEMBL4776350 0.87 HPGD (0.35) ADORA2AADORA1NR3C1HPGDKDM4E
SCHEMBL4774046 0.86 NR3C1 (0.33) ADORA2AADORA1NR3C1PDE4B
SCHEMBL4774041 0.86 NR3C1 (0.33) ADORA2AADORA1NR3C1PDE4B

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 ADORA2A 1477/4885ADORA1 828/4885NR3C1 1688/4885

“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.