SCHEMBL583574

SCHEMBL583574

COc1ccc(Cn2ncc3c(NCc4ccccc4)c(C(=O)O)cnc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.61
ADORA1 P30542 9/20 0.60
ADORA2A P29274 2/20 0.60
GAA P10253 1/20 0.58
SRC P12931 1/20 0.56
LMNA P02545 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
MAPT P10636 2/20 0.52
ALOX15 P16050 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
PDE4B Q07343 2/20 0.51
KDM4E B2RXH2 2/20 0.50
ASPH Q12797 1/20 0.50
KDM8 Q8N371 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL583328 0.90 GAA (0.74) ADORA1ADORA2AGAALMNAALDH1A1
SCHEMBL583310 0.89 ADORA1 (0.55) PDE5AADORA1ADORA2AGAASRC
SCHEMBL582469 0.82 PDE4B (0.54) PDE5AADORA1LMNAALDH1A1HPGD
SCHEMBL12540284 0.81 SRC (0.61) PDE5AADORA1ADORA2AGAASRC
SCHEMBL30644829 0.81 ALDH1A1 (0.49) PDE5AADORA1GAALMNAALDH1A1
SCHEMBL2792459 0.81 ALDH1A1 (0.49) PDE5AADORA1GAALMNAALDH1A1
SCHEMBL583339 0.80 PDE4B (0.57) PDE5AADORA1ADORA2APDE4B
SCHEMBL11392895 0.79 ALDH1A1 (0.51) PDE5AADORA1ADORA2ASRCLMNA
SCHEMBL582289 0.79 PDE4B (0.69) PDE5AADORA1PDE4B
SCHEMBL1580149 0.78 PDE5A (0.49) PDE5AADORA1GAALMNAALDH1A1

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 4 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 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 PDE5A 6/4885ADORA1 1009/4885ADORA2A 823/4885
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3B, PDE4B PDE5A 6/4885ADORA1 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.