SCHEMBL5113794

SCHEMBL5113794

CCn1ncc2c(-c3ccc(Cl)s3)c(CO)c(C(C)C)nc21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.36
SIGMAR1 Q99720 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL27662576 0.82 KDM4E (0.38) GCGRSIGMAR1ADORA3ADORA2AADORA1
SCHEMBL4774010 0.82 SIGMAR1 (0.33) SIGMAR1ADORA3ADORA2AADORA1
SCHEMBL27662583 0.81 MAT2A (0.35) SIGMAR1ADORA3ADORA2AADORA1
SCHEMBL4772802 0.81 ALDH1A1 (0.43)
SCHEMBL4778610 0.79 NPC1 (0.31) SIGMAR1
SCHEMBL4778606 0.79 NPC1 (0.31) SIGMAR1
SCHEMBL4770236 0.77 GCGR (0.59) GCGR
SCHEMBL4778936 0.72 ALDH1A1 (0.53)
SCHEMBL27662582 0.69 MAT2A (0.38) SIGMAR1ADORA3ADORA2AADORA1
SCHEMBL27662575 0.69 KDM4E (0.38) SIGMAR1ADORA3ADORA2AADORA1

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 2 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
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 GCGR 1095/4885SIGMAR1 1838/4885ADORA3 651/4885

“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.