SCHEMBL4777913

SCHEMBL4777913

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
PLA2G2A P14555 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX5 P09917 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4829971 0.88 MAPT (0.37) MAPTPLA2G2AKDM4ESMN1; SMN2ADORA3
SCHEMBL27662570 0.83 DHFR (0.37) MAPTKDM4ESMN1; SMN2RAB9AADORA3
SCHEMBL4770149 0.83 DHFR (0.37) KDM4ESMN1; SMN2RAB9AADORA3ALDH1A1
SCHEMBL4772847 0.82 ESR1 (0.35) MAPTSMN1; SMN2RAB9AFABP3FABP4
SCHEMBL4772855 0.82 ESR1 (0.35) MAPTSMN1; SMN2RAB9AFABP3FABP4
SCHEMBL4769974 0.81 SMN1; SMN2 (0.52) MAPTKDM4EALOX5SMN1; SMN2RAB9A
SCHEMBL4772227 0.74 MAPT (0.42) MAPTKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL4775010 0.72 MAPT (0.35) MAPTKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL5907441 0.72 MAPT (0.36) MAPTKDM4ESMN1; SMN2FABP3FABP4
SCHEMBL4777608 0.71 MAPK1 (0.33) MAPTSMN1; SMN2RAB9AFABP3FABP4

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 MAPT 2816/4885PLA2G2A 3191/4885KDM4E 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.