SCHEMBL8206953

SCHEMBL8206953

CC(C)n1ncc2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.45
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.34
PDE10A Q9Y233 2/20 0.32
PLK1 P53350 1/20 0.31
CSNK2A1 P68400 1/20 0.31
PLK3 Q9H4B4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL27104235 0.78 DRD4 (0.34) DRD4DRD2HDAC8PDE10A
SCHEMBL18237954 0.76 DRD4 (0.46) DRD4DRD2
SCHEMBL19129893 0.75 DRD4 (0.37) DRD4DRD2PDE10A
SCHEMBL27106924 0.75 DRD4 (0.37) DRD4DRD2PDE10A
SCHEMBL18199156 0.75 DRD4 (0.37) DRD4DRD2PDE10A
SCHEMBL27106923 0.75 DRD4 (0.37) DRD4DRD2PDE10A
SCHEMBL18237632 0.74 DRD4 (0.35) DRD4DRD2
SCHEMBL18238055 0.74 DRD4 (0.38) DRD4DRD2HDAC9PDE10A
SCHEMBL22548958 0.74 MAOA (0.40) DRD4DRD2PDE10A
SCHEMBL21483644 0.74 DRD4 (0.48) DRD4DRD2HDAC8RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076297-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2024-03-07 US disclosed
EP-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 EP disclosed
US-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2023-07-20 US disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO INC (US) 2023-01-05 US disclosed
EP-3672971-B1 TRIAZOLO PYRIDINES AS MODULATORS OF GAMMA-SECRETASE BOEHRINGER INGELHEIM INT (DE) 2021-07-14 EP disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10968225-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA 2021-04-06 US disclosed
US-20210009555-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-01-14 US disclosed
US-20200369663-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2020-11-26 US disclosed
US-8779153-B2 3-amino-pyrazole derivatives useful against tuberculosis GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
US-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
US-20130203802-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2013-08-08 US disclosed
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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 (14 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-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER KRAS, NRAS, TP53 DRD4 1648/4885DRD2 1442/4885HDAC8 4780/4885
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 DRD4 4679/4885DRD2 4708/4885HDAC8 1330/4885
US-20240076297-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY ADORA2A, ADORA2B, ADORA1 DRD4 3143/4885DRD2 1382/4885HDAC8 2111/4885
US-20130203802-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 DRD4 1142/4885DRD2 1210/4885HDAC8 2638/4885
US-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 DRD4 3022/4885DRD2 4273/4885HDAC8 3430/4885
US-20200369663-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC1 DRD4 4679/4885DRD2 4603/4885HDAC8 3590/4885
US-10968225-B2 Compounds and compositions for the treatment of cystic fibrosis CFTR, ABCB11, ABCC1 DRD4 4679/4885DRD2 4603/4885HDAC8 3590/4885
US-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments INMT, IDO1, CHRM1 DRD4 380/4885DRD2 694/4885HDAC8 4175/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF DRD4 4858/4885DRD2 4856/4885HDAC8 1068/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 DRD4 4770/4885DRD2 4763/4885HDAC8 974/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN DRD4 2725/4885DRD2 4227/4885HDAC8 1954/4885
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT DRD4 4116/4885DRD2 4049/4885HDAC8 251/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN DRD4 2725/4885DRD2 4227/4885HDAC8 1954/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN DRD4 2725/4885DRD2 4227/4885HDAC8 1954/4885

“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.