Sugi Predict

Sugi Predict / Compounds / SCHEMBL4772478

SCHEMBL4772478

SCHEMBL4772478

CCOC(=O)c1c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)nc2c(cnn2CC)c1-c1cncc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ PDE4B Q07343 2/20 0.38
▸ SMN1; SMN2 Q16637 6/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ BLM P54132 2/20 0.37
▸ PMP22 Q01453 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ GMNN O75496 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL4772673 0.87 ALDH1A1 (0.33) KDM4EMAPTPDE4BSMN1; SMN2MEN1
SCHEMBL4778021 0.85 MAPT (0.31) MAPTNPSR1TSHR
SCHEMBL4778670 0.85 SLC16A3 (0.31) PDE4BSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4778665 0.85 SLC16A3 (0.31) PDE4BSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4775986 0.83 MAPT (0.43) KDM4EMAPTPDE4BSMN1; SMN2MEN1
SCHEMBL4779627 0.82 MAPT (0.43) KDM4EMAPTPDE4BSMN1; SMN2MEN1
SCHEMBL4775090 0.82 MAPT (0.45) KDM4EMAPTPDE4BSMN1; SMN2MEN1
SCHEMBL4776614 0.80 KDM4E (0.46) KDM4EMAPTPDE4BSMN1; SMN2MEN1
SCHEMBL4776213 0.80 MAPT (0.46) KDM4EMAPTPDE4BSMN1; SMN2MEN1
SCHEMBL4770159 0.79 MAPT (0.50) KDM4EMAPTPDE4BSMN1; SMN2MEN1

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 KDM4E 2228/4885MAPT 2816/4885PDE4B 4/4885

“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.