SCHEMBL4772664

SCHEMBL4772664

CCn1ncc2c(-c3ccc(Cl)s3)c(/C=N/O)c(C3CC3)nc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 9/20 0.33
HTT P42858 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
PTGER3 P43115 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL4772666 1.00 MAT2A (0.33) MAT2AHTTSIGMAR1PTGER3ADORA3
SCHEMBL4776551 0.87 MAT2A (0.34) MAT2ASIGMAR1PTGER3ADORA3ADORA2A
SCHEMBL4769472 0.84 MAT2A (0.35) MAT2ASIGMAR1PTGER3
SCHEMBL4769467 0.84 MAT2A (0.35) MAT2ASIGMAR1PTGER3
SCHEMBL27662583 0.82 MAT2A (0.35) MAT2ASIGMAR1PTGER3ADORA3ADORA2A
SCHEMBL4776207 0.82 SIGMAR1 (0.36) MAT2ASIGMAR1PTGER3ADORA3ADORA2A
SCHEMBL27662582 0.81 MAT2A (0.38) MAT2ASIGMAR1PTGER3ADORA3ADORA2A
SCHEMBL4769894 0.79 MAT2A (0.41) MAT2APTGER3
SCHEMBL4774010 0.71 SIGMAR1 (0.33) SIGMAR1ADORA3ADORA2AADORA1
SCHEMBL4778122 0.70 KDM4E (0.37) HTTSIGMAR1ADORA3ADORA2AADORA1

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 MAT2A 3361/4885HTT 3715/4885SIGMAR1 1838/4885

“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.