SCHEMBL4770149

SCHEMBL4770149

CCn1ncc2c(-c3cccc(Cl)c3)c(C=O)c(COC)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.37
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP1A2 P05177 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP2C9 P11712 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33
KLKB1 P03952 1/20 0.33
PDE9A O76083 1/20 0.33
PDE10A Q9Y233 1/20 0.32
HPGD P15428 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
SCHEMBL4772855 0.87 ESR1 (0.35) DHFRRAB9ASMN1; SMN2KLKB1
SCHEMBL4772847 0.87 ESR1 (0.35) DHFRRAB9ASMN1; SMN2KLKB1
SCHEMBL4777660 0.87 PDE10A (0.37) ADORA2AADORA1ADORA3TSHRPDE10A
SCHEMBL27662570 0.85 DHFR (0.37) DHFRADORA2AADORA1ADORA3CYP1A2
SCHEMBL4777913 0.83 MAPT (0.39) ADORA3CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL4776059 0.80 PDE10A (0.33) CYP1A2ALDH1A1CYP3A4HSD17B10CYP2C9
SCHEMBL4770121 0.79 PDE10A (0.33) TSHRPDE10A
SCHEMBL4793463 0.75 PDE10A (0.34) ADORA2AADORA1ADORA3PDE10A
SCHEMBL4793457 0.75 PDE10A (0.34) ADORA2AADORA1ADORA3PDE10A
SCHEMBL4774431 0.73 KDM4E (0.37) ADORA2AADORA1ADORA3ALDH1A1HSD17B10

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 DHFR 114/4885ADORA2A 1477/4885ADORA1 828/4885

“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.