SCHEMBL8272

SCHEMBL8272

CN(C)c1nc(N)c2[nH]cnc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.61
GDA Q9Y2T3 1/20 0.61
PI4KA P42356 2/20 0.48
PI4K2B Q8TCG2 2/20 0.48
PI4K2A Q9BTU6 2/20 0.48
PI4KB Q9UBF8 2/20 0.48
LRRK2 Q5S007 2/20 0.48
LMNA P02545 2/20 0.48
DRD3 P35462 1/20 0.48
XDH P47989 1/20 0.48
MAP3K5 Q99683 1/20 0.45
CDK2 P24941 5/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
CHEK2 O96017 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PRKACA P17612 1/20 0.44
CCNE1 P24864 1/20 0.44
MARK3 P27448 1/20 0.44

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
SCHEMBL30053533 1.00 PDPK1 (0.61) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL28252150 0.79 EGFR (0.54) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL378320 0.78 CDK2 (0.44) PDPK1GDALRRK2LMNAXDH
SCHEMBL19780 0.77 PDPK1 (0.66) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL28251818 0.77 PDPK1 (0.47) PDPK1GDAPI4KAPI4K2BPI4K2A
2,6-Diaminopurine SCHEMBL29143272 0.77 PDPK1 (0.92) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL29375916 0.77 PDPK1 (0.66) PDPK1GDAPI4KAPI4K2BPI4K2A
2,6-Diaminopurine SCHEMBL24053 0.76 PDPK1 (1.00) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL28004928 0.75 PDPK1 (0.45) PDPK1GDAPI4KAPI4K2BPI4K2A
2,6-Diaminopurine SCHEMBL8757979 0.75 PDPK1 (0.96) PDPK1GDAPI4KAPI4K2BPI4K2A

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 130 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
EP-4267767-A1 IGH REARRANGEMENTS AND USES THEREOF Foundation Medicine, Inc. (US) 2023-11-01 EP disclosed
EP-4223770-A2 NOVEL FUSION MOLECULES AND USES THEREOF Foundation Medicine, Inc. (US) 2023-08-09 EP disclosed
EP-2914622-B1 NOVEL FUSION MOLECULES AND USES THEREOF FOUND MEDICINE INC (US) 2023-06-07 EP disclosed
EP-2914621-B1 NOVEL NTRK1 FUSION MOLECULES AND USES THEREOF FOUND MEDICINE INC (US) 2023-06-07 EP disclosed
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 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 (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-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS C5, C9, C1QBP PDPK1 1081/4885GDA 1784/4885PI4KA 2356/4885
US-20240071588-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS MKI67, BRCA1, CLN6 PDPK1 4125/4885GDA 1617/4885PI4KA 4481/4885

“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.