SCHEMBL5609956

SCHEMBL5609956

Cc1[c]oc(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.46
RAB9A P51151 10/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
NR1H4 Q96RI1 3/20 0.45
SMN1; SMN2 Q16637 11/20 0.42
HPGD P15428 6/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 4/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
NOTUM Q6P988 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39

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
SCHEMBL2097865 0.77 RAB9A (0.43) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL806849 0.68 ACHE (0.66) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL3951956 0.64 ENPP3 (0.53) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL436384 0.64 GAA (0.57) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL2089931 0.62 KDM4E (0.56) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL15716531 0.62 IKBKB (0.56) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL1473020 0.62 NR1H4 (1.00) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL352664 0.61 NPC1 (0.50) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL5673870 0.61 NR1H4 (0.65) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL22621631 0.60 NR1H4 (0.60) NPC1RAB9ANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239882-B2 Substituted 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine compounds as PDE2 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2019-03-26 US claimed
US-20180282338-A1 SUBSTITUTED 5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE LLC 2018-10-04 US claimed
EP-3215508-A1 SUBSTITUTED 5-METHYL-[1, 2, 4]TRIAZOLO [1,5-A) PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS Dart NeuroScience (Cayman) Ltd. (KY) 2017-09-13 EP claimed
WO-2016073424-A1 SUBSTITUTED 5-METHYL-[1, 2, 4] TRIAZOLO [1,5-A) PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE, LLC (US) 2016-05-12 WO claimed
EP-1080104-B1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 2005-02-09 EP claimed
US-6689801-B2 CARDIOVASCULAR DISORDERS; ANTIISCHEMIC AGENTS; HYPOTENSIVE AGENTS; GASTROINTESTINAL DISORDERS NOVARTIS AG (CH) 2004-02-10 US claimed
US-20030018057-A1 Certain heteroaryl substituted thiol inhibitors of endothelin-converting enzyme FINK CYNTHIA ANNE (US) 2003-01-23 US claimed
US-6426354-B1 CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS; BRAIN DISORDERS NOVARTIS AG (CH) 2002-07-30 US claimed
EP-1080104-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME Novartis AG (CH) 2001-03-07 EP claimed
WO-1999055723-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 1999-11-04 WO claimed
US-10239882-B2 Substituted 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine compounds as PDE2 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2019-03-26 US disclosed
US-20180282338-A1 SUBSTITUTED 5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE LLC 2018-10-04 US disclosed
EP-3215508-A1 SUBSTITUTED 5-METHYL-[1, 2, 4]TRIAZOLO [1,5-A) PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS Dart NeuroScience (Cayman) Ltd. (KY) 2017-09-13 EP disclosed
WO-2016073424-A1 SUBSTITUTED 5-METHYL-[1, 2, 4] TRIAZOLO [1,5-A) PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE, LLC (US) 2016-05-12 WO disclosed
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
CN-1143639-A Oxime derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1997-02-26 CN disclosed
EP-0562833-B1 Anti-ulcer pyridyloxy derivatives, their preparation and uses SANKYO CO (JP) 1996-05-08 EP disclosed
EP-0708098-A1 Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-04-24 EP disclosed
CN-1081437-A Antiulcer pyridine oxygen derivative, their preparation method and purposes SANKYO CO (JP) 1994-02-02 CN disclosed
EP-0562833-A1 Anti-ulcer pyridyloxy derivatives, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-09-29 EP 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-20030018057-A1 Certain heteroaryl substituted thiol inhibitors of endothelin-converting enzyme ECE1, ECE2, EDNRB NPC1 2893/4885RAB9A 4056/4885NFKB1 1387/4885
US-10239882-B2 Substituted 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine compounds as PDE2 inhibitors PDE12, PDE2A, PDE3A NPC1 3338/4885RAB9A 1415/4885NFKB1 3256/4885
US-20180282338-A1 SUBSTITUTED 5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE3A NPC1 3338/4885RAB9A 1415/4885NFKB1 3256/4885

“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.