SCHEMBL4775101

SCHEMBL4775101

CCn1ncc2c(-c3cncc(C)c3)c(C=CC(=O)O)c(-c3ccc(F)cc3)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.35
MAPT P10636 1/20 0.35
GGPS1 O95749 1/20 0.34
PDE4B Q07343 1/20 0.34
NAMPT P43490 1/20 0.34
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
NPC1 O15118 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ESR1 P03372 2/20 0.31
HMGCR P04035 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL4775092 1.00 TSPO (0.35) TSPOMAPTGGPS1PDE4BNAMPT
SCHEMBL1814098 0.92 HPGD (0.36) MAPTPDE4BNPC1HPGDRAB9A
SCHEMBL1814100 0.92 HPGD (0.36) MAPTPDE4BNPC1HPGDRAB9A
SCHEMBL4772339 0.87 AKR1C4 (0.36) PDE4BAKR1C4AKR1C3CYP11B1CYP11B2
SCHEMBL4772334 0.87 AKR1C4 (0.36) PDE4BAKR1C4AKR1C3CYP11B1CYP11B2
SCHEMBL4772747 0.87 CYP11B1 (0.36) TSPOGGPS1PDE4BNAMPTCYP11B1
SCHEMBL4772522 0.85 SMN1; SMN2 (0.36) MAPTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4772526 0.85 SMN1; SMN2 (0.36) MAPTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL5306841 0.85 SIGMAR1 (0.31) SIGMAR1
SCHEMBL4772554 0.85 SIGMAR1 (0.31) SIGMAR1

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 TSPO 4169/4885MAPT 2816/4885GGPS1 1856/4885

“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.