SCHEMBL8273

SCHEMBL8273

CN(C)n1cnc2c(N)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.59
ADORA1 P30542 9/20 0.59
PI4KA P42356 10/20 0.54
PI4K2B Q8TCG2 10/20 0.54
PI4K2A Q9BTU6 10/20 0.54
PI4KB Q9UBF8 10/20 0.54
ADORA2B P29275 4/20 0.54
EGFR P00533 1/20 0.47
AHCY P23526 2/20 0.46
ADORA3 P0DMS8 2/20 0.46

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
SCHEMBL21128139 0.83 ADORA2A (0.56) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10442147 0.75 YTHDC1 (0.62) ADORA2AADORA1ADORA2BAHCYADORA3
SCHEMBL24377187 0.75 CDK1 (0.40) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL106573 0.75 ADORA2A (1.00) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL580610 0.74 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL24709952 0.74 ADORA2A (0.68) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL7140260 0.73 ADORA2A (0.96) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL7147821 0.73 ADORA2A (0.96) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28413958 0.72 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL667204 0.72 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730485-B2 DETECTION OF BINDING DOMAIN IN POLYPEPTIDE; OBTAIN POLYPEPTIDE, INCUBATE WITH LIGAND, EXPOSE SPECTRUM ANALYSIS, DETECT BINDING DOMAIN IN PROTEIN ISIS PHARMACEUTICALS, INC. 2004-05-04 US claimed
US-6730484-B2 POLYNUCLEOTIDE OR POLYPEPTIDE, AS WELL AS METHODS FOR DETERMINING WHETHER A PARTICULAR SITE IN A TARGET MOLECULE IS AT OR NEAR THE LIGAND BINDING SITE, ARE PROVIDED. LIGAND BINDING AFFINITIES CORRESPONDING TO BOTH THE TARGET MOLECULE ISIS PHARMACEUTICALS, INC. 2004-05-04 US claimed
US-20030165915-A1 Methods for identifying ligand binding sites in a biomolecule ISIS PHARMACEUTICALS, INC. 2003-09-04 US claimed
US-20030077630-A1 Methods for identifying ligand binding sites in a biomolecule ISIS PHARMACEUTICALS, INC. 2003-04-24 US claimed
US-20030013113-A1 Methods for identifying ligand binding sites in a biomolecule ISIS PHARMACEUTICALS, INC. 2003-01-16 US claimed
US-20240071588-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS SERVIER PHARMACEUTICALS LLC (US) 2024-02-29 US disclosed
US-20240060140-A1 IGH REARRANGEMENTS AND USES THEREOF FOUNDATION MEDICINE, INC. (US) 2024-02-22 US disclosed
US-20230399355-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. 2023-12-14 US disclosed
EP-4267767-A1 IGH REARRANGEMENTS AND USES THEREOF Foundation Medicine, Inc. (US) 2023-11-01 EP disclosed
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 US disclosed
EP-4223770-A2 NOVEL FUSION MOLECULES AND USES THEREOF Foundation Medicine, Inc. (US) 2023-08-09 EP disclosed
US-20230193282-A1 TREATMENT METHODS FOR MUSCULAR DYSTROPHY SAREPTA THERAPEUTICS, INC. (US) 2023-06-22 US disclosed
US-6730485-B2 DETECTION OF BINDING DOMAIN IN POLYPEPTIDE; OBTAIN POLYPEPTIDE, INCUBATE WITH LIGAND, EXPOSE SPECTRUM ANALYSIS, DETECT BINDING DOMAIN IN PROTEIN ISIS PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-6730484-B2 POLYNUCLEOTIDE OR POLYPEPTIDE, AS WELL AS METHODS FOR DETERMINING WHETHER A PARTICULAR SITE IN A TARGET MOLECULE IS AT OR NEAR THE LIGAND BINDING SITE, ARE PROVIDED. LIGAND BINDING AFFINITIES CORRESPONDING TO BOTH THE TARGET MOLECULE ISIS PHARMACEUTICALS, INC. 2004-05-04 US disclosed
EP-1381694-A1 METHODS FOR IDENTIFYING LIGAND BINDING SITES IN A BIOMOLECULE ISIS Pharmaceuticals, Inc. (US) 2004-01-21 EP disclosed
US-6653067-B1 Contacting with modified/unmodified test molecule and dissociating; comparing the unseparated complexes; mass spectrometry; use in drug discovery ISIS PHARMACEUTICALS, INC. 2003-11-25 US disclosed
US-20030165915-A1 Methods for identifying ligand binding sites in a biomolecule ISIS PHARMACEUTICALS, INC. 2003-09-04 US disclosed
US-20030077630-A1 Methods for identifying ligand binding sites in a biomolecule ISIS PHARMACEUTICALS, INC. 2003-04-24 US disclosed
US-20030013113-A1 Methods for identifying ligand binding sites in a biomolecule ISIS PHARMACEUTICALS, INC. 2003-01-16 US disclosed
WO-2002068691-A1 METHODS FOR IDENTIFYING LIGAND BINDING SITES IN A BIOMOLECULE ISIS PHARMACEUTICALS, INC. (US) 2002-09-06 WO 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 (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-20240071588-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS MKI67, BRCA1, CLN6 ADORA2A 4349/4885ADORA1 4554/4885PI4KA 4481/4885
US-20230193282-A1 TREATMENT METHODS FOR MUSCULAR DYSTROPHY MTPN, UTRN, CAPNS1 ADORA2A 2146/4885ADORA1 2988/4885PI4KA 4622/4885
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof CAT, MPO, NISCH ADORA2A 4374/4885ADORA1 4143/4885PI4KA 1930/4885
US-20230399355-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF CAT, MPO, NISCH ADORA2A 4374/4885ADORA1 4143/4885PI4KA 1930/4885

“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.