SCHEMBL583310

SCHEMBL583310

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.55
ADORA2A P29274 2/20 0.55
GAA P10253 1/20 0.53
PDE5A O76074 2/20 0.50
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PDE4B Q07343 2/20 0.47
SRC P12931 1/20 0.47
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.45
NR3C1 P04150 1/20 0.44

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
SCHEMBL583574 0.89 PDE5A (0.61) ADORA1ADORA2AGAAPDE5ALMNA
SCHEMBL582621 0.87 PDE4B (0.58) ADORA1ADORA2AGAAPDE5APDE4B
SCHEMBL583328 0.85 GAA (0.74) ADORA1ADORA2AGAALMNASMN1; SMN2
SCHEMBL583294 0.83 PDE4B (0.50) ADORA1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL15130283 0.82 NPBWR1 (0.44) LMNAALDH1A1HPGDMAPTALOX15
SCHEMBL583304 0.82 PDE4B (0.54) ADORA1ADORA2APDE4B
SCHEMBL582502 0.80 PDE4B (0.62) ADORA1PDE4B
SCHEMBL583448 0.80 PDE4B (0.49) ADORA1ADORA2APDE4B
SCHEMBL583449 0.80 PDE4B (0.49) ADORA1ADORA2APDE4B
SCHEMBL5262267 0.78 MAPT (0.43) ADORA1GAALMNASMN1; SMN2ALDH1A1

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 ADORA1 1009/4885ADORA2A 823/4885GAA 739/4885
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3B, PDE4B ADORA1 970/4885ADORA2A 870/4885GAA 815/4885

“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.