SCHEMBL582488

SCHEMBL582488

CCn1nc(C)c2c(NC3CCCCC3)c(C3=NOC4(CCC(C#N)CC4)C3)cnc21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
PDE4B Q07343 5/20 0.40
PDE7A Q13946 2/20 0.40
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
NR3C1 P04150 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
SCHEMBL582197 0.93 POLB (0.43) POLBPDE4BPDE7APDE3BPDE3A
SCHEMBL583521 0.93 POLB (0.44) POLBPDE4BPDE7APDE3BPDE3A
SCHEMBL580665 0.92 POLB (0.47) POLBPDE4BPDE7APDE3BPDE3A
SCHEMBL583461 0.91 POLB (0.47) POLBPDE4BPDE7APDE3BPDE3A
Bicarbonate SCHEMBL583484 0.90 POLB (0.47) POLBPDE4BPDE7ANR3C1
Bicarbonate SCHEMBL583188 0.88 POLB (0.50) POLBPDE4BPDE7ANR3C1
Bicarbonate SCHEMBL583789 0.88 POLB (0.50) POLBPDE4BPDE7ANR3C1
Bicarbonate SCHEMBL583374 0.88 POLB (0.50) POLBPDE4BPDE7ANR3C1
SCHEMBL582541 0.88 POLB (0.48) POLBPDE4BPDE7ANR3C1
Bicarbonate SCHEMBL582582 0.88 POLB (0.48) POLBPDE4BPDE7ANR3C1

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.