SCHEMBL409012

SCHEMBL409012

[c]1nccc(-c2ncc[nH]2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.44
MTOR P42345 1/20 0.44
ADK P55263 1/20 0.44
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
ADRA2A P08913 3/20 0.34
CSNK1A1 P48729 1/20 0.34
TYRO3 Q06418 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE4A P27815 1/20 0.33

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
SCHEMBL6460701 0.85 NISCH (0.53) NISCHMTORADKALDH1A1MEN1
SCHEMBL5491437 0.76
SCHEMBL7407580 0.73 NISCH (0.46) NISCHMTORADKALDH1A1MEN1
SCHEMBL30216772 0.72 NISCH (0.52) NISCHMTORADKALDH1A1MEN1
SCHEMBL28581729 0.72 NISCH (0.52) NISCHMTORADKALDH1A1MEN1
SCHEMBL5696024 0.71 KDM4C (0.39) ADRA1A
SCHEMBL1869273 0.71
SCHEMBL1870927 0.71
SCHEMBL81650 0.69 NISCH (0.59) NISCHMTORADKALDH1A1MEN1
SCHEMBL5045017 0.69 NISCH (0.45) NISCHMTORADKALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190106430-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2019-04-11 US claimed
EP-3402785-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2018-11-21 EP claimed
EP-2855471-B1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-11-15 EP claimed
WO-2017121649-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO claimed
US-20150322089-A1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-12 US claimed
EP-2855471-A1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2015-04-08 EP claimed
EP-2563796-B1 AZA-BICYCLIC AMINE N-OXIDE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGAND PRO-DRUGS BRISTOL MYERS SQUIBB CO (US) 2015-03-18 EP claimed
WO-2013177024-A1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-28 WO claimed
US-8481555-B2 Aza-bicyclic amine N-oxide compounds as alpha-7 nicotinic acetylcholine receptor ligand pro-drugs BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-09 US claimed
EP-2563796-A1 AZA-BICYCLIC AMINE N-OXIDE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGAND PRO-DRUGS Bristol-Myers Squibb Company (US) 2013-03-06 EP claimed
WO-2008046003-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-04-17 WO claimed
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-04-17 US claimed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 WO claimed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP claimed
EP-1265907-B9 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2007-05-09 EP claimed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US claimed
EP-1265907-B1 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2007-01-03 EP claimed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO claimed
EP-1634883-A1 2-SUBSTITUTED PHENYL-5,7-DIALKYL-3,7-DIHYDROPYRROLE[2,3-D]PYRIMIDINE-4-ONE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF Tianjin Tasly Group Co., Ltd. (CN) 2006-03-15 EP claimed
US-6919322-B2 Phenyl Phosphonate Fructose-1,6-Bisphosphatase Inhibitors METABASIS THERAPEUTICS, INC. (US) 2005-07-19 US claimed

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-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES MYLK3, MYLK, CDK3 NISCH 4112/4885MTOR 294/4885ADK 657/4885
US-20190106430-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, PKD2 NISCH 2460/4885MTOR 2687/4885ADK 2318/4885
US-20150322089-A1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA2, CHRNA1 NISCH 797/4885MTOR 3440/4885ADK 1191/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK NISCH 4374/4885MTOR 397/4885ADK 407/4885

“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.