SCHEMBL4772847

SCHEMBL4772847

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.35
ESR2 Q92731 4/20 0.35
DHFR P00374 3/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
NR3C1 P04150 1/20 0.34
S1PR1 P21453 1/20 0.34
KLKB1 P03952 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
SLC22A12 Q96S37 1/20 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
SCHEMBL4772855 1.00 ESR1 (0.35) ESR1ESR2DHFRRAB9ASMN1; SMN2
SCHEMBL4793463 0.89 PDE10A (0.34) NR3C1
SCHEMBL4793457 0.89 PDE10A (0.34) NR3C1
SCHEMBL4770149 0.87 DHFR (0.37) DHFRRAB9ASMN1; SMN2KLKB1
SCHEMBL4772675 0.82 SMN1; SMN2 (0.32) ESR1ESR2RAB9ASMN1; SMN2MAPT
SCHEMBL4772687 0.82 SMN1; SMN2 (0.32) ESR1ESR2RAB9ASMN1; SMN2MAPT
SCHEMBL4777913 0.82 MAPT (0.39) RAB9ASMN1; SMN2MAPTNR3C1FABP3
SCHEMBL4769988 0.81 PDE10A (0.30)
SCHEMBL4769997 0.81 PDE10A (0.30)
SCHEMBL27662570 0.80 DHFR (0.37) DHFRRAB9ASMN1; SMN2MAPT

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 ESR1 4085/4885ESR2 3442/4885DHFR 114/4885

“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.