SCHEMBL1471838

SCHEMBL1471838

CCc1nn(CC)c2ncc(C(=O)O)c(NC3CC3)c12

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
PDE4B Q07343 15/20 0.47
ADORA1 P30542 3/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 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
SCHEMBL4339847 0.89 POLB (0.49) POLBPDE4B
SCHEMBL5962789 0.82 POLB (0.52) POLBPDE4BADORA1KMT2AADORA2A
SCHEMBL11536617 0.78 KMT2A (0.44) POLBPDE4BKMT2A
SCHEMBL583313 0.78 PDE4B (0.70) PDE4BADORA1ADORA2A
SCHEMBL1472484 0.77 KMT2A (0.55) POLBPDE4BKMT2A
SCHEMBL583135 0.76 PDE4B (0.77) PDE4B
SCHEMBL583156 0.75 PDE4B (0.77) PDE4B
SCHEMBL583438 0.74 PDE4B (0.65) PDE4BADORA1ADORA2A
SCHEMBL583104 0.74 POLB (0.56) POLBPDE4B
SCHEMBL5963217 0.73 POLB (0.70) POLBPDE4BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915286-B2 Substituted pyrazolo [3,4-b] pyridines as phosphodiesterase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2011-03-29 US disclosed
US-20100022571-A1 SUBSTITUTED PYRAZOLO [3,4-B]PYRIDINES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-28 US disclosed
US-20090306129-A1 SUBSTITUTED PYRAZOLO [3,4-B] PYRIDINES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-12-10 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 (2 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-20100022571-A1 SUBSTITUTED PYRAZOLO [3,4-B]PYRIDINES AS PHOSPHODIESTERASE INHIBITORS PDE4B, PDE4A, PDE3B POLB 749/4885PDE4B 1/4885ADORA1 741/4885
US-20090306129-A1 SUBSTITUTED PYRAZOLO [3,4-B] PYRIDINES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE4B, PDE3A POLB 775/4885PDE4B 2/4885ADORA1 792/4885

“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.