SCHEMBL4771945

SCHEMBL4771945

CCC(CC)c1nc2c(cnn2CC)c(-c2cncc(C)c2)c1C=CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 2/20 0.31
SIGMAR1 Q99720 1/20 0.30
MEN1 O00255 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 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
SCHEMBL4771940 1.00 NR3C1 (0.33) NR3C1SMN1; SMN2ALDH1A1SIGMAR1MEN1
SCHEMBL4777843 0.92 NR3C1 (0.32) NR3C1SMN1; SMN2ALDH1A1SIGMAR1MEN1
SCHEMBL4777846 0.92 NR3C1 (0.32) NR3C1SMN1; SMN2ALDH1A1SIGMAR1MEN1
SCHEMBL4772526 0.88 SMN1; SMN2 (0.36) NR3C1SMN1; SMN2ALDH1A1SIGMAR1MEN1
SCHEMBL4772522 0.88 SMN1; SMN2 (0.36) NR3C1SMN1; SMN2ALDH1A1SIGMAR1MEN1
SCHEMBL4770195 0.86 SIGMAR1 (0.33) NR3C1SIGMAR1
SCHEMBL4770211 0.86 NR3C1 (0.33) NR3C1SMN1; SMN2ALDH1A1SIGMAR1MEN1
SCHEMBL4770200 0.86 NR3C1 (0.33) NR3C1SMN1; SMN2ALDH1A1SIGMAR1MEN1
SCHEMBL4774893 0.84 DPP4 (0.40) NR3C1PDE4B
SCHEMBL4774900 0.84 DPP4 (0.40) NR3C1PDE4B

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 NR3C1 1688/4885SMN1; SMN2 2957/4885ALDH1A1 774/4885

“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.