SCHEMBL4776472

SCHEMBL4776472

CCn1ncc2c(-c3ccnc(Cl)c3)c(C=O)c(C3CCCC3)nc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.34
TGFBR2 P37173 1/20 0.34
MAT2A P31153 9/20 0.34
TGFBR1 P36897 2/20 0.32
PDE5A O76074 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PDE4B Q07343 2/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
CYP17A1 P05093 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL4776405 0.96 MAT2A (0.36) MAT2ATGFBR1ADORA3ADORA2AADORA1
SCHEMBL4769879 0.88 MAT2A (0.34) ACVR2ATGFBR2MAT2APDE5APDE4B
SCHEMBL4769886 0.88 MAT2A (0.34) ACVR2ATGFBR2MAT2APDE5APDE4B
SCHEMBL27682210 0.84 ACVR2A (0.35) ACVR2ATGFBR2MAT2ATGFBR1PDE5A
SCHEMBL27682208 0.84 ACVR2A (0.40) ACVR2ATGFBR2MAT2ATGFBR1PDE5A
SCHEMBL4770172 0.84 MAT2A (0.37) MAT2ATGFBR1PDE5APDE4B
SCHEMBL4770164 0.84 MAT2A (0.37) MAT2ATGFBR1PDE5APDE4B
SCHEMBL4775031 0.84 MAT2A (0.34) MAT2ATGFBR1ADORA3ADORA2AADORA1
SCHEMBL4775034 0.84 MAT2A (0.34) MAT2ATGFBR1ADORA3ADORA2AADORA1
SCHEMBL4778624 0.83 MAPT (0.36) MAT2ATGFBR1ADORA3ADORA2AADORA1

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 ACVR2A 1153/4885TGFBR2 428/4885MAT2A 3361/4885

“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.