SCHEMBL4777847

SCHEMBL4777847

CCn1ncc2c(-c3cncc(C)c3)c(C=CCN3CCC(C(=O)O)CC3)c(COC)nc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE5A O76074 1/20 0.32
S1PR1 P21453 1/20 0.31
MAT2A P31153 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL4777841 1.00 KDM4E (0.32) KDM4EALDH1A1TSHRKMT2APDE5A
SCHEMBL4772675 0.82 SMN1; SMN2 (0.32) ALDH1A1TSHRKMT2AMAT2A
SCHEMBL4772687 0.82 SMN1; SMN2 (0.32) ALDH1A1TSHRKMT2AMAT2A
SCHEMBL4772353 0.82 PDE10A (0.32) TSHRSIGMAR1
SCHEMBL4772348 0.82 PDE10A (0.32) TSHRSIGMAR1
SCHEMBL5117332 0.80 MEN1 (0.33) ALDH1A1TSHRKMT2AMAT2A
SCHEMBL5117322 0.80 MEN1 (0.33) ALDH1A1TSHRKMT2AMAT2A
SCHEMBL4776059 0.80 PDE10A (0.33) ALDH1A1TSHRKMT2ASIGMAR1
SCHEMBL4776057 0.80 SMN1; SMN2 (0.30) ALDH1A1TSHRKMT2A
SCHEMBL4776041 0.80 SMN1; SMN2 (0.30) ALDH1A1TSHRKMT2A

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 2228/4885ALDH1A1 774/4885TSHR 1221/4885

“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.