SCHEMBL582528

SCHEMBL582528

CCOC(=O)c1cnc2c(cnn2CC)c1Cl

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.65
KMT2A Q03164 2/20 0.64
PDE5A O76074 1/20 0.63
MEN1 O00255 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
NR3C1 P04150 5/20 0.58
PGR P06401 1/20 0.54

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
SCHEMBL9838429 0.88 PDE4B (0.58) PDE4BKMT2APDE5A
SCHEMBL12354712 0.86 PDE4B (0.68) PDE4BKMT2APDE5AMEN1MAPT
SCHEMBL10962807 0.86 PDE4B (0.56) PDE4BKMT2APDE5AMEN1MAPT
SCHEMBL2528129 0.86 PDE4B (0.63) PDE4BKMT2AMEN1NR3C1
SCHEMBL2626726 0.85 SMN1; SMN2 (0.61) PDE4BKMT2AMEN1MAPTNR3C1
SCHEMBL7012617 0.85 PDE4B (0.67) PDE4BKMT2APDE5AMEN1MAPT
SCHEMBL31133246 0.85 SMN1; SMN2 (0.61) PDE4BKMT2AMEN1MAPTNR3C1
SCHEMBL17963376 0.85 NR3C1 (0.61) PDE4BKMT2APDE5AMEN1MAPT
SCHEMBL8228061 0.84 PDE4B (0.65) PDE4BKMT2APDE5AMEN1MAPT
SCHEMBL2772405 0.84 PDE4B (0.65) PDE4BKMT2APDE5AMEN1MAPT

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 100 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-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-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
EP-2560974-B1 PYRRAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-01-27 EP 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-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-20150158895-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) ALLERGAN, INC. (US) 2015-06-11 US disclosed
EP-2247294-B1 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION BASILEA PHARMACEUTICA AG (CH) 2014-03-26 EP disclosed
EP-1113796-A4 FUSED PYRIDINE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL MYERS SQUIBB CO (US) 2003-07-30 EP disclosed
US-6326379-B1 ERECTILE DYSFUNCTION; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. 2001-12-04 US disclosed
EP-1113796-A1 FUSED PYRIDINE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2001-07-11 EP disclosed
WO-2000015222-A1 FUSED PYRIDINE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-23 WO disclosed
US-4061632-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4012373-A ANTIINFLAMMATORY, CNS DEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1977-03-15 US disclosed
US-4000277-A 3,11-Dihydro- 6H-pyrazolo[1,5-a]pyrazolo[4',3':5,6]pyrido[4,3-d]pyrimidin-6-one and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1976-12-28 US disclosed
US-3983128-A CNS DEPRESSANTS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-09-28 US disclosed
US-3979399-A ATARACTIC, ANALGESIC, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-09-07 US disclosed
US-3966746-A ATARACTIC, ANALGESIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1976-06-29 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-20160264549-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) PDE9A, PDE10A, PDE6A PDE4B 15/4885KMT2A 2096/4885PDE5A 6/4885
US-20150158895-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) PDE9A, PDE10A, PDE6A PDE4B 15/4885KMT2A 2096/4885PDE5A 6/4885

“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.