SCHEMBL7880686

SCHEMBL7880686

CN1CCc2[nH]cnc2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
CHRNA7 P36544 1/20 0.37
AKT1 P31749 2/20 0.35
MAOA P21397 3/20 0.35
MAOB P27338 2/20 0.35
HRH3 Q9Y5N1 3/20 0.34
HRH4 Q9H3N8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
ADRA1A P35348 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
Hydrochloric Acid SCHEMBL9582962 0.98 CYP2C19 (0.41) CYP2C19CHRNA7AKT1MAOAMAOB
SCHEMBL12082637 0.86 AKT1 (0.39) CYP2C19AKT1MAOAMAOBHRH3
SCHEMBL11995146 0.85 AKT1 (0.44) CYP2C19CHRNA7AKT1MAOAMAOB
SCHEMBL16152037 0.84
SCHEMBL12459815 0.77 AKT1 (0.38) AKT1HRH3HRH4ADRA1A
SCHEMBL2757816 0.77 HRH4 (0.36) AKT1HRH3HRH4ADRA1A
SCHEMBL10232762 0.77 HRH3 (0.39) CHRNA7AKT1HRH3HRH4KDM4E
SCHEMBL12788182 0.77 HRH3 (0.39) AKT1HRH3HRH4
SCHEMBL8499455 0.75 ALDH1A1 (0.36) CYP2C19KDM4E
SCHEMBL19347764 0.74 ALOX15 (0.40) CYP2C19AKT1HRH3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022169755-A1 SULFONAMIDE SUBSTITUTED N-(1H-INDOL-7-YL) BENZENESULFONAMIDES AND USES THEREOF TRIANA BIOMEDICINES, INC. (US) 2022-08-11 WO disclosed
US-11001570-B2 6-amino-quinolinone compounds and derivatives as BCL6 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-05-11 US disclosed
US-10934309-B2 Tricyclic quinone derivative SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2021-03-02 US disclosed
EP-3772513-A1 SHP2 INHIBITORS C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2021-02-10 EP disclosed
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2020-10-13 US disclosed
EP-3555063-B1 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-09-16 EP disclosed
EP-3686182-A1 CHEMICALLY ACTIVATED WATER-SOLUBLE PRODRUG Sumitomo Dainippon Pharma Co., Ltd. (JP) 2020-07-29 EP disclosed
US-20200071297-A1 NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-03-05 US disclosed
EP-3122751-B1 CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN LA ROCHE (CH) 2019-10-30 EP disclosed
EP-3122750-B1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN LA ROCHE (CH) 2019-09-04 EP disclosed
WO-2011059021-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-05-19 WO disclosed
US-7902375-B2 Antiallergens; antiarthritic agents; psoriasis; inflammatory bowel disorders; Crohn's disease; sepsis ; antiproliferative agents; anticancer agents; transplant rejection; stroke; antidiabetic agents; restenosis NOVARTIS AG (CH) 2011-03-08 US disclosed
US-7902375-B2 Antiallergens; antiarthritic agents; psoriasis; inflammatory bowel disorders; Crohn's disease; sepsis ; antiproliferative agents; anticancer agents; transplant rejection; stroke; antidiabetic agents; restenosis NOVARTIS AG (CH) 2011-03-08 US disclosed
US-20100311721-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-05-27 US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 US disclosed
EP-1689391-B1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES NOVARTIS AG (CH) 2009-04-22 EP disclosed
US-20080280871-A1 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases NOVARTIS AG (CH) 2008-11-13 US disclosed
US-20080280871-A1 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases NOVARTIS AG (CH) 2008-11-13 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 (8 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-20100311721-A1 COMPOUNDS CCNA1, MKI67, CCNT1 CYP2C19 154/4885CHRNA7 4433/4885AKT1 1639/4885
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 CYP2C19 3064/4885CHRNA7 3959/4885AKT1 426/4885
US-20080280871-A1 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases PI4KA, IP6K3, PHOSPHO1 CYP2C19 4364/4885CHRNA7 4098/4885AKT1 92/4885
US-20200071297-A1 NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BCL6, BCL6B, BCOR CYP2C19 3608/4885CHRNA7 4749/4885AKT1 1637/4885
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 CYP2C19 170/4885CHRNA7 1543/4885AKT1 2651/4885
US-11001570-B2 6-amino-quinolinone compounds and derivatives as BCL6 inhibitors BCL6, BCL6B, BCOR CYP2C19 3363/4885CHRNA7 4737/4885AKT1 1340/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK CYP2C19 696/4885CHRNA7 4621/4885AKT1 2737/4885
US-10934309-B2 Tricyclic quinone derivative NQO1, NQO2, SQOR CYP2C19 74/4885CHRNA7 2544/4885AKT1 1935/4885

“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.