SCHEMBL1942912

SCHEMBL1942912

CCn1nc(C)c2c(NC3CCC(C(=O)O)CC3)c(C3=NOC(CC(N)=O)(CC(N)=O)C3)cnc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
PDE4B Q07343 9/20 0.35
PDE7A Q13946 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA1 P30542 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL1945446 0.92 POLB (0.49) POLBPDE4BPDE7AKMT2A
SCHEMBL1946608 0.92 POLB (0.48) POLBPDE4BPDE7AKMT2A
SCHEMBL1944592 0.91 POLB (0.51) POLBPDE4BPDE7AKMT2AADORA1
SCHEMBL1942105 0.91 POLB (0.47) POLBPDE4BPDE7AKMT2A
SCHEMBL1944462 0.91 POLB (0.47) POLBPDE4BPDE7AKMT2A
SCHEMBL1944198 0.91 POLB (0.48) POLBPDE4BPDE7A
SCHEMBL1945937 0.89 POLB (0.47) POLBPDE4BPDE7AKMT2A
SCHEMBL1945939 0.89 POLB (0.47) POLBPDE4BKMT2A
SCHEMBL582833 0.87 POLB (0.48) POLBPDE4BPDE7AKMT2A
SCHEMBL582547 0.86 POLB (0.51) POLBPDE4BPDE7AKMT2AADORA1

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 POLB 1829/4885PDE4B 3/4885PDE7A 5/4885

“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.