SCHEMBL582832

SCHEMBL582832

Cc1nn(C)c2ncc(C=O)c(NC3CCCC3)c12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.51
POLB P06746 1/20 0.43
PDE4B Q07343 6/20 0.39
PDE4A P27815 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
CSNK2B P67870 1/20 0.39
CHRM4 P08173 1/20 0.37
CNR2 P34972 4/20 0.36
CNR1 P21554 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
ADORA1 P30542 1/20 0.35
THPO P40225 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL1471871 0.95 POLB (0.45) NR3C1POLBPDE4BPDE4APDE4C
SCHEMBL1471299 0.84 NR3C1 (0.48) NR3C1POLBPDE4BPDE4APDE4C
SCHEMBL582583 0.84 NR3C1 (0.48) NR3C1POLBPDE4BPDE4APDE4C
SCHEMBL583870 0.81 NR3C1 (0.60) NR3C1POLBPDE4BPDE4APDE4C
SCHEMBL1472449 0.79 POLB (0.43) NR3C1POLBPDE4BPDE4APDE4C
SCHEMBL582784 0.79 POLB (0.43) NR3C1POLBPDE4BPDE4APDE4C
SCHEMBL14155015 0.77 PDE4B (0.47) PDE4BCSNK2BCYP1A2CYP3A4CYP2D6
SCHEMBL582788 0.76 POLB (0.76) NR3C1POLBPDE4BPKM
SCHEMBL581903 0.75 NR3C1 (0.54) NR3C1POLBPDE4BPDE4APDE4C
SCHEMBL583104 0.75 POLB (0.56) NR3C1POLBPDE4BPDE4APDE4C

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 9 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-7915286-B2 Substituted pyrazolo [3,4-b] pyridines as phosphodiesterase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2011-03-29 US disclosed
US-20100292196-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-11-18 US disclosed
US-20100022571-A1 SUBSTITUTED PYRAZOLO [3,4-B]PYRIDINES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-28 US disclosed
US-20090306129-A1 SUBSTITUTED PYRAZOLO [3,4-B] PYRIDINES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-12-10 US disclosed
EP-2124944-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-12-02 EP disclosed
WO-2008111010-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-09-18 WO 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 (4 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 NR3C1 519/4885POLB 1725/4885PDE4B 5/4885
US-20100022571-A1 SUBSTITUTED PYRAZOLO [3,4-B]PYRIDINES AS PHOSPHODIESTERASE INHIBITORS PDE4B, PDE4A, PDE3B NR3C1 3791/4885POLB 749/4885PDE4B 1/4885
US-20090306129-A1 SUBSTITUTED PYRAZOLO [3,4-B] PYRIDINES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE4B, PDE3A NR3C1 3658/4885POLB 775/4885PDE4B 2/4885
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3B, PDE4B NR3C1 690/4885POLB 1829/4885PDE4B 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.