SCHEMBL4813671

SCHEMBL4813671

CCn1ncc2c(N[C@H](C)C(C)C)c(C(=O)NCc3ccccc3)cnc21

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.65
NR3C1 P04150 8/20 0.57
PDE5A O76074 1/20 0.51
ADORA1 P30542 3/20 0.47
ADORA2A P29274 1/20 0.47
PGR P06401 1/20 0.46

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
SCHEMBL4808277 1.00 PDE4B (0.65) PDE4BNR3C1PDE5AADORA1ADORA2A
SCHEMBL4817912 0.91 NR3C1 (0.59) PDE4BNR3C1PDE5APGR
SCHEMBL4816365 0.91 PDE4B (0.54) PDE4BNR3C1PDE5APGR
SCHEMBL4809814 0.90 PDE4B (0.58) PDE4BNR3C1PDE5APGR
SCHEMBL5802679 0.90 NR3C1 (0.56) PDE4BNR3C1PDE5APGR
SCHEMBL4812576 0.89 NR3C1 (0.57) PDE4BNR3C1PDE5AADORA1PGR
SCHEMBL4816499 0.89 NR3C1 (0.56) PDE4BNR3C1PDE5APGR
SCHEMBL4810313 0.89 NR3C1 (0.56) PDE4BNR3C1PDE5APGR
SCHEMBL4808833 0.88 NR3C1 (0.55) PDE4BNR3C1PDE5APGR
SCHEMBL4815888 0.88 NR3C1 (0.55) PDE4BNR3C1PDE5AADORA1ADORA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465743-B2 Pyrazolo[3,4-b]pyridine compounds, and their use as PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2008-12-16 US claimed
US-20070167485-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as pde4 inhibitors GLAXO GROUP LIMITED (GB) 2007-07-19 US claimed
US-7465743-B2 Pyrazolo[3,4-b]pyridine compounds, and their use as PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2008-12-16 US disclosed
US-20070167485-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as pde4 inhibitors GLAXO GROUP LIMITED (GB) 2007-07-19 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-20070167485-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as pde4 inhibitors PDE3B, PDE3A, PDE4A PDE4B 4/4885NR3C1 359/4885PDE5A 8/4885

“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.