SCHEMBL582890

SCHEMBL582890

CCn1nc(C)c2c(NC3CCC(C(=O)O)CC3)c(C3=NOC4(C3)CC(O)C4)cnc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
PDE4B Q07343 11/20 0.37
PDE7A Q13946 2/20 0.37
KMT2A Q03164 1/20 0.33
ADORA1 P30542 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
PIK3CD O00329 2/20 0.30
PIK3R1 P27986 2/20 0.30
PIK3CA P42336 2/20 0.30
SSTR5 P35346 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
SCHEMBL582547 0.95 POLB (0.51) POLBPDE4BPDE7AKMT2AADORA1
SCHEMBL583677 0.94 POLB (0.45) POLBPDE4BPDE7AKMT2A
SCHEMBL582581 0.93 POLB (0.49) POLBPDE4BPDE7AKMT2AADORA1
Bicarbonate SCHEMBL583813 0.93 POLB (0.49) POLBPDE4BPDE7AKMT2APIK3CD
SCHEMBL582833 0.92 POLB (0.48) POLBPDE4BPDE7AKMT2A
Bicarbonate SCHEMBL582891 0.92 POLB (0.49) POLBPDE4BPDE7AKMT2A
SCHEMBL583261 0.92 POLB (0.51) POLBPDE4BPDE7AKMT2AADORA1
SCHEMBL583253 0.92 POLB (0.47) POLBPDE4BPDE7AKMT2A
SCHEMBL582960 0.92 POLB (0.47) POLBPDE4BPDE7AKMT2A
SCHEMBL583062 0.91 POLB (0.50) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420666-B2 Pyrazolo (3, 4-B) pyridine derivatives as phosphodiesterase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2013-04-16 US claimed
EP-2124944-B1 Pyrazolo[3,4-b]pyridine derivatives as phosphodiesterase inhibitors RANBAXY LAB LTD (IN) 2012-02-15 EP claimed
US-20100292196-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-11-18 US claimed
US-8420666-B2 Pyrazolo (3, 4-B) pyridine derivatives as phosphodiesterase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2013-04-16 US disclosed
EP-2124944-B1 Pyrazolo[3,4-b]pyridine derivatives as phosphodiesterase inhibitors RANBAXY LAB LTD (IN) 2012-02-15 EP disclosed
US-20100292196-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-11-18 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-20100292196-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE4A, PDE3A POLB 1725/4885PDE4B 5/4885PDE7A 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.