SCHEMBL4776207

SCHEMBL4776207

CCn1ncc2c(-c3ccc(Cl)s3)c(C#N)c(C3CC3)nc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
PDE5A O76074 1/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAT2A P31153 9/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
PIK3CD O00329 1/20 0.31
PTGER3 P43115 1/20 0.31
MERTK Q12866 1/20 0.30
USP1 O94782 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
SCHEMBL27662583 0.83 MAT2A (0.35) SIGMAR1PDE5AMAPTMAT2AADORA3
SCHEMBL27662582 0.83 MAT2A (0.38) SIGMAR1PDE5AMAT2AADORA3ADORA2A
SCHEMBL4776551 0.82 MAT2A (0.34) SIGMAR1MAT2AADORA3ADORA2AADORA1
SCHEMBL4772666 0.82 MAT2A (0.33) SIGMAR1MAT2AADORA3ADORA2AADORA1
SCHEMBL4772664 0.82 MAT2A (0.33) SIGMAR1MAT2AADORA3ADORA2AADORA1
SCHEMBL4769894 0.79 MAT2A (0.41) MAPTTSHRNPSR1MAT2APTGER3
SCHEMBL4769467 0.78 MAT2A (0.35) SIGMAR1MAPTMAT2APTGER3
SCHEMBL4769472 0.78 MAT2A (0.35) SIGMAR1MAPTMAT2APTGER3
SCHEMBL4778936 0.69 ALDH1A1 (0.53) MAPTTSHRNPSR1
SCHEMBL27662576 0.69 KDM4E (0.38) SIGMAR1MAPTNPSR1GRIN1GRIN2B

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 SIGMAR1 1838/4885PDE5A 3/4885MAPT 2816/4885

“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.