SCHEMBL4810313

SCHEMBL4810313

CCn1ncc2c(N[C@@H](C)C(C)C)c(C(=O)NCc3ccc(OC)cc3)cnc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.56
PDE5A O76074 4/20 0.56
PDE4B Q07343 5/20 0.53
PDE2A O00408 1/20 0.49
GAA P10253 1/20 0.48
PGR P06401 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4816945 0.90 NR3C1 (0.54) NR3C1PDE5APDE4BPGRPOLB
SCHEMBL4813606 0.90 NR3C1 (0.55) NR3C1PDE5APDE4BPGR
SCHEMBL4817912 0.90 NR3C1 (0.59) NR3C1PDE5APDE4BPGR
SCHEMBL4817419 0.89 PDE5A (0.53) NR3C1PDE5APDE4BPGR
SCHEMBL4809814 0.89 PDE4B (0.58) NR3C1PDE5APDE4BPGRPOLB
SCHEMBL4808277 0.89 PDE4B (0.65) NR3C1PDE5APDE4BPGR
SCHEMBL4813671 0.89 PDE4B (0.65) NR3C1PDE5APDE4BPGR
SCHEMBL4816499 0.87 NR3C1 (0.56) NR3C1PDE5APDE4BPGR
SCHEMBL4808317 0.87 PDE4B (0.59) NR3C1PDE5APDE4B
SCHEMBL4814011 0.86 NR3C1 (0.55) NR3C1PDE5APDE4BPGR

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 NR3C1 359/4885PDE5A 8/4885PDE4B 4/4885

“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.