SCHEMBL330205

SCHEMBL330205

Cc1nc2c(s1)CNCC2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 8/20 0.44
CD274 Q9NZQ7 8/20 0.44
PNMT P11086 2/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
OGA O60502 3/20 0.36
HDAC2 Q92769 1/20 0.34
ADORA1 P30542 2/20 0.32
PDE10A Q9Y233 1/20 0.31

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 SCHEMBL6765448 0.98 PDCD1 (0.43) PDCD1CD274PNMTTLR9TLR8
Bromide SCHEMBL3822772 0.98 PDCD1 (0.43) PDCD1CD274PNMTTLR9TLR8
SCHEMBL21451979 0.89 PDCD1 (0.36) PDCD1CD274PNMTTLR9TLR8
SCHEMBL31143437 0.87 PDCD1 (0.39) PDCD1CD274PNMTTLR9TLR8
SCHEMBL6436015 0.86 PDCD1 (0.36) PDCD1CD274PNMTPDE10A
Bromide SCHEMBL15021264 0.84 PDCD1 (0.35) PDCD1CD274PNMTPDE10A
SCHEMBL15910247 0.84 PDCD1 (0.48) PDCD1CD274PNMTTLR9TLR7
Hydrochloric Acid SCHEMBL7677012 0.84 PDCD1 (0.35) PDCD1CD274PNMTPDE10A
Hydrochloric Acid SCHEMBL31569096 0.82 PDCD1 (0.47) PDCD1CD274PNMTTLR9TLR7
SCHEMBL2846333 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119095839-A Quinoline derivatives as modulators and related products of Mas-associated G protein receptor X2 伊赛恩特制药公司 2024-12-06 CN disclosed
US-12139498-B1 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2024-11-12 US disclosed
US-20240368188-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2024-11-07 US disclosed
EP-4223369-A1 IMMUNOMODULATOR COMPOUNDS AND METHODS OF USE Incyte Corporation (US) 2023-08-09 EP disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
EP-4190784-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2023-06-07 EP disclosed
US-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 US disclosed
WO-2023023534-A2 ARYL SULFONYL COMPOUNDS AS CCR6 INHIBITORS CHEMOCENTRYX, INC. (US) 2023-02-23 WO disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
EP-1749007-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION Intermune, Inc. (US) 2007-02-07 EP disclosed
EP-1680137-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION Intermune, Inc. (US) 2006-07-19 EP disclosed
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 US disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 WO disclosed
EP-0321191-B1 Heterocyclic-substituted quinoline-carboxylic acids PFIZER (US) 1994-11-02 EP disclosed
US-5214051-A Thiazolyl and oxazolyl[5,4-c]piperidyl-substituted quinolone-carboxylic acid and related analogs thereof having antibacterial properties are disclosed PFIZER INC. (US) 1993-05-25 US disclosed
US-5037834-A Heterocycylic-substituted quinoline-carboxylic acids PFIZER INC. (US) 1991-08-06 US disclosed
WO-1989005643-A1 HETEROCYCLIC-SUBSTITUTED QUINOLINE-CARBOXYLIC ACIDS PFIZER INC. (US) 1989-06-29 WO disclosed
EP-0321191-A2 Heterocyclic-substituted quinoline-carboxylic acids PFIZER INC. (US) 1989-06-21 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 (6 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-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 PDCD1 3090/4885CD274 3566/4885PNMT 2339/4885
US-20240368188-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM1 PDCD1 3920/4885CD274 2679/4885PNMT 76/4885
US-12139498-B1 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM1 PDCD1 3866/4885CD274 2658/4885PNMT 75/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 PDCD1 855/4885CD274 1059/4885PNMT 4019/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A PDCD1 3348/4885CD274 3380/4885PNMT 3139/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A PDCD1 3348/4885CD274 3380/4885PNMT 3139/4885

“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.