SCHEMBL583328

SCHEMBL583328

CCOC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2)c1NCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.74
ADORA1 P30542 11/20 0.70
PDE4B Q07343 4/20 0.66
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
MAPT P10636 2/20 0.64
HPGD P15428 2/20 0.64
KDM4E B2RXH2 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
ADORA2A P29274 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.58

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 0.90 PDE5A (0.61) GAAADORA1PDE4BALDH1A1LMNA
SCHEMBL583310 0.85 ADORA1 (0.55) GAAADORA1PDE4BALDH1A1LMNA
SCHEMBL6289931 0.84 PDE4B (0.70) ADORA1PDE4B
SCHEMBL582892 0.82 PDE4B (0.70) GAAADORA1PDE4BALDH1A1MAPT
SCHEMBL1058840 0.82 ADORA1 (1.00) ADORA1ADORA2A
SCHEMBL582644 0.82 PDE4B (0.60) GAAADORA1PDE4BALDH1A1LMNA
SCHEMBL587425 0.82 PDE4B (0.60) GAAADORA1PDE4BALDH1A1LMNA
SCHEMBL583379 0.81 PDE4B (0.74) GAAADORA1PDE4BADORA2A
SCHEMBL581967 0.79 PDE4B (0.67) GAAADORA1PDE4BADORA2A
SCHEMBL583427 0.79 PDE4B (0.83) GAAADORA1PDE4B

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 GAA 739/4885ADORA1 1009/4885PDE4B 5/4885
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3B, PDE4B GAA 815/4885ADORA1 970/4885PDE4B 3/4885

“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.