SCHEMBL582223

SCHEMBL582223

CCn1ncc2c(NCc3ccccc3)c(C=O)cnc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.51
ADORA1 P30542 5/20 0.48
ADORA2A P29274 1/20 0.48
PDE5A O76074 2/20 0.48
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SRC P12931 1/20 0.46
NR3C1 P04150 2/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL583436 0.85 PDE4B (0.48) PDE4BADORA1ADORA2APDE5ALMNA
SCHEMBL582569 0.85 PDE4B (0.48) PDE4BADORA1ADORA2APDE5ALMNA
SCHEMBL582568 0.85 PDE4B (0.48) PDE4BADORA1ADORA2APDE5ALMNA
SCHEMBL7028354 0.77 KMT2A (0.60) PDE4BADORA1LMNAHTTALDH1A1
SCHEMBL13987400 0.76 XDH (0.42) PDE4BPDE5AHPGDNR3C1
SCHEMBL582621 0.76 PDE4B (0.58) PDE4BADORA1ADORA2APDE5ASRC
SCHEMBL13987407 0.74 PDE4B (0.45) PDE4BPDE5ALMNAALDH1A1HPGD
SCHEMBL13987381 0.74 PDE4B (0.45) PDE4BPDE5ALMNAALDH1A1HPGD
SCHEMBL582929 0.74 PDE4B (0.57) PDE4BADORA1
SCHEMBL10441131 0.74 KMT2A (0.59) PDE5ALMNAHTTALDH1A1HPGD

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
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-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-06-02 US 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 (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-20100292196-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE4A, PDE3A PDE4B 5/4885ADORA1 1009/4885ADORA2A 823/4885
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3B, PDE4B PDE4B 3/4885ADORA1 970/4885ADORA2A 870/4885

“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.