SCHEMBL665059

SCHEMBL665059

Brc1cc(Cc2ccncc2)cc2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.53
PDE4B Q07343 3/20 0.53
PDE4C Q08493 2/20 0.53
PDE4D Q08499 2/20 0.53
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CCR1 P32246 3/20 0.39
CCR8 P51685 3/20 0.39
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
CYP3A4 P08684 2/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MMP2 P08253 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL7445231 0.89 KDM4E (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7449180 0.85 L3MBTL1 (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4034477 0.80 KDM4E (0.42) PDE4AKDM4EL3MBTL1NPC1RAB9A
SCHEMBL7441535 0.80 L3MBTL1 (0.44) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL661551 0.79 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL1060220 0.79 CCR1 (0.42) PDE4AKDM4EL3MBTL1NPC1RAB9A
SCHEMBL21438696 0.79 KDM4E (0.41) PDE4AKDM4EL3MBTL1NPC1RAB9A
SCHEMBL7436017 0.78 CCR1 (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL13849046 0.78 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL27513673 0.78 KDM4E (0.39) KDM4EL3MBTL1NPC1RAB9ACCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO disclosed
US-7144896-B2 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-12-05 US disclosed
US-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-11-03 US disclosed
US-6919353-B2 Substituted 8-arylquinolune PDE4 inhibitors MERCK FROSST CANADA & CO. (CA) 2005-07-19 US disclosed
EP-1404330-B1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC (CA) 2005-06-01 EP disclosed
EP-1404330-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-04-07 EP disclosed
WO-2003078397-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-25 WO disclosed
WO-2003002118-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-01-09 WO disclosed
CN-1202170-A Quinoline derivatives as type 1V phosphodiesterase inhibitors NOVARTIS AG (CH) 1998-12-16 CN disclosed
EP-0873338-A1 QUINOLINE DERIVATIVES AS TYPE IV PHOSPHODIESTERASE INHIBITORS Novartis AG (CH) 1998-10-28 EP disclosed
EP-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
WO-1997018208-A1 QUINOLINE DERIVATIVES AS TYPE IV PHOSPHODIESTERASE INHIBITORS NOVARTIS AG (CH) 1997-05-22 WO disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 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 (3 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 PDE4A 486/4885PDE4B 506/4885PDE4C 828/4885
US-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT PDE4A 394/4885PDE4B 281/4885PDE4C 541/4885

“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.