SCHEMBL9120

SCHEMBL9120

CNn1cnc2c(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
SCHEMBL20208091 0.86 ADORA2A (0.56) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL22399264 0.83 ADORA2A (0.56) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28004601 0.81 ADORA2A (0.58) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28004916 0.81 ADORA2A (0.58) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL24236911 0.79 YTHDC1 (0.41) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28210687 0.78 ADORA2A (0.51) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL8970970 0.78 YTHDC1 (0.66) ADORA2AADORA1ADORA2BAHCYADORA3
SCHEMBL48453 0.77 ADORA2A (0.50) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL29138713 0.77 ADORA2A (0.50) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL24236873 0.76 ADORA2A (0.37) 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 165 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381694-A4 METHODS FOR IDENTIFYING LIGAND BINDING SITES IN A BIOMOLECULE ISIS PHARMACEUTICALS INC (US) 2006-08-16 EP 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-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
EP-1381694-A1 METHODS FOR IDENTIFYING LIGAND BINDING SITES IN A BIOMOLECULE ISIS Pharmaceuticals, Inc. (US) 2004-01-21 EP claimed
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 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
WO-2002068691-A1 METHODS FOR IDENTIFYING LIGAND BINDING SITES IN A BIOMOLECULE ISIS PHARMACEUTICALS, INC. (US) 2002-09-06 WO 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
EP-4267767-A1 IGH REARRANGEMENTS AND USES THEREOF Foundation Medicine, Inc. (US) 2023-11-01 EP disclosed
US-11773131-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2023-10-03 US disclosed
EP-4223770-A2 NOVEL FUSION MOLECULES AND USES THEREOF Foundation Medicine, Inc. (US) 2023-08-09 EP disclosed
EP-1009860-A4 ANTISENSE OLIGONUCLEOTIDE INHIBITION OF RAS ISIS PHARMACEUTICALS INC (US) 2002-07-10 EP disclosed
EP-0981648-A4 ANTISENSE INHIBITION OF ras GENE WITH CHIMERIC AND ALTERNATING OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2002-05-22 EP disclosed
EP-1009860-A1 ANTISENSE OLIGONUCLEOTIDE INHIBITION OF RAS ISIS PHARMACEUTICALS, INC. (US) 2000-06-21 EP disclosed
EP-0981648-A1 ANTISENSE INHIBITION OF ras GENE WITH CHIMERIC AND ALTERNATING OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2000-03-01 EP disclosed
WO-1999002732-A1 ANTISENSE OLIGONUCLEOTIDE INHIBITION OF RAS ISIS PHARMACEUTICALS, INC. (US) 1999-01-21 WO disclosed
WO-1998049349-A1 ANTISENSE INHIBITION OF ras GENE WITH CHIMERIC AND ALTERNATING OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1998-11-05 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 (2 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-11773131-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 PHKA1, PHKA2, PRKCA ADORA2A 368/4885ADORA1 344/4885PI4KA 123/4885

“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.