SCHEMBL4778671

SCHEMBL4778671

CCn1ncc2c(-c3cncc(C)c3)c(CCC(=O)O)c(CC(C)(C)C)nc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.34
DPP9 Q86TI2 6/20 0.34
DPP8 Q6V1X1 4/20 0.33
TBXAS1 P24557 1/20 0.32
NR3C1 P04150 2/20 0.32
KMO O15229 1/20 0.31
GLA P06280 1/20 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
ALDH1A1 P00352 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

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
SCHEMBL4776470 0.91 ALDH1A1 (0.37) DPP4KMOMEN1GMNNUSP2
SCHEMBL4774881 0.87 DPP4 (0.44) DPP4
SCHEMBL4779750 0.87 ALDH1A1 (0.32) DPP4KMOGLASIGMAR1MEN1
SCHEMBL4772343 0.86 GLA (0.40) DPP4KMOGLASIGMAR1MEN1
SCHEMBL4772575 0.85 PTGS2 (0.37) DPP4SIGMAR1
SCHEMBL4777556 0.84 KMO (0.33) DPP4NR3C1KMOGLASIGMAR1
SCHEMBL4772332 0.83 RXRA (0.40) KMOGLAMEN1ALDH1A1MAPT
SCHEMBL4778959 0.83 DPP4 (0.34) DPP4KMOGLASIGMAR1MEN1
SCHEMBL4778731 0.83 GSK3B (0.37) SIGMAR1MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL4778082 0.82 SLC22A12 (0.35) DPP4NR3C1KMOGLASIGMAR1

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 3 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
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 DPP4 42/4885DPP9 185/4885DPP8 271/4885

“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.