SCHEMBL1943979

SCHEMBL1943979

CCn1ncc2c(NC3CCC(=O)CC3)c(C3=NOC(C(=O)NCc4ccncc4)(C(=O)NCc4ccncc4)C3)cnc21

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.47
PDE5A O76074 1/20 0.41
PDE4D Q08499 5/20 0.38
NR3C1 P04150 1/20 0.37

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
SCHEMBL1946070 0.93 PDE4B (0.48) PDE4BPDE5APDE4D
SCHEMBL1945370 0.92 PDE4B (0.57) PDE4BPDE5A
SCHEMBL1943973 0.89 PDE4B (0.48) PDE4BPDE4D
SCHEMBL1943242 0.87 PDE4B (0.47) PDE4BPDE4D
SCHEMBL1946335 0.85 PDE4B (0.50) PDE4BPDE4D
SCHEMBL1942662 0.85 PDE4B (0.52) PDE4BPDE4D
SCHEMBL1944882 0.85 PDE4B (0.51) PDE4B
SCHEMBL1943098 0.84 PDE4B (0.51) PDE4BPDE4D
SCHEMBL1943605 0.83 PDE4B (0.55) PDE4BPDE4D
SCHEMBL1944806 0.82 PDE4B (0.44) PDE4BPDE4D

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-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-06-02 US claimed
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-06-02 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-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3B, PDE4B PDE4B 3/4885PDE5A 6/4885PDE4D 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.