SCHEMBL582299

SCHEMBL582299

CCn1ncc2c(Cl)c(C(=O)O)cnc21

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.61
PDE4B Q07343 9/20 0.56
PGR P06401 1/20 0.56
PDE5A O76074 2/20 0.52
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46

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
Hydrochloric Acid SCHEMBL7008243 0.99 NR3C1 (0.60) NR3C1PDE4BPGRPDE5AMEN1
SCHEMBL9835005 0.88 NR3C1 (0.61) NR3C1PDE4BPGRPDE5AMEN1
SCHEMBL3282653 0.88 NR3C1 (0.61) NR3C1PDE4BPGRPDE5AMEN1
SCHEMBL4338013 0.87 NR3C1 (0.60) NR3C1PDE4BPGRPDE5AMEN1
SCHEMBL10674021 0.85 NR3C1 (0.47) NR3C1
SCHEMBL4341828 0.85 NR3C1 (0.71) NR3C1PDE4BPGRPDE5A
SCHEMBL9835965 0.84 NR3C1 (0.60) NR3C1PDE4BPGRPDE5A
SCHEMBL7958253 0.84 PDE4B (0.49) NR3C1PDE4BPGRPDE5AMEN1
SCHEMBL14115711 0.84 PDE4B (0.52) NR3C1PDE4BPGRPDE5AMEN1
SCHEMBL7009102 0.84 PDE4B (0.49) NR3C1PDE4BPGRPDE5AMEN1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902710-B2 Substituted 6, 7-dialkoxy-3-isoquinoline derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) EXONHIT THERAPEUTICS, SA (FR) 2018-02-27 US disclosed
US-20160264549-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) EXONHIT THERAPEUTICS, SA (FR) 2016-09-15 US disclosed
US-9200016-B2 Substituted 6, 7-dialkoxy-3-isoquinoline derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) ALLERGAN, INC. (US) 2015-12-01 US disclosed
US-20150158895-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) ALLERGAN, INC. (US) 2015-06-11 US disclosed
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
US-7709497-B2 Pyrazolo[3,4-b]pyridine compound, and its use as a PDE4 inhibitor GLAXO GROUP LIMITED (GB) 2010-05-04 US disclosed
US-7709497-B2 Pyrazolo[3,4-b]pyridine compound, and its use as a PDE4 inhibitor GLAXO GROUP LIMITED (GB) 2010-05-04 US disclosed
US-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2006-04-27 US disclosed
EP-1581532-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-10-05 EP disclosed
WO-2005090354-A1 PYRAZOLO[3,4-b] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 WO disclosed
WO-2005090352-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUND, AND ITS USE AS A PDE4 INHIBITOR GLAXO GROUP LIMITED (GB) 2005-09-29 WO disclosed
WO-2005090353-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 WO disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO disclosed
EP-1539753-A2 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-15 EP disclosed
WO-2004056823-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-08 WO disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed
US-6316438-B1 Fused pyridopyridazine inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB CO. 2001-11-13 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 (5 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 519/4885PDE4B 5/4885PGR 1472/4885
US-20160264549-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) PDE9A, PDE10A, PDE6A NR3C1 1795/4885PDE4B 15/4885PGR 3909/4885
US-20150158895-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) PDE9A, PDE10A, PDE6A NR3C1 1795/4885PDE4B 15/4885PGR 3909/4885
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3B, PDE4B NR3C1 690/4885PDE4B 3/4885PGR 1832/4885
US-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors PDE5A, PDE3B, PDE4A NR3C1 16/4885PDE4B 4/4885PGR 566/4885

“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.