SCHEMBL5068264

SCHEMBL5068264

CC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)C3CCCCC3)ncnc21

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCP P55072 6/20 0.66
PSMC4 P43686 1/20 0.66
HTT P42858 3/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
SRC P12931 2/20 0.52
ABL1 P00519 1/20 0.52
GSK3B P49841 2/20 0.47
ADORA1 P30542 3/20 0.43
ADORA2A P29274 2/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDR P35968 2/20 0.42
RET P07949 1/20 0.42

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
SCHEMBL5063322 0.99 VCP (0.67) VCPPSMC4HTTKDM4EALDH1A1
SCHEMBL5064856 0.97 VCP (0.67) VCPPSMC4HTTKDM4EALDH1A1
SCHEMBL13020022 0.89 HTT (0.73) VCPPSMC4HTTKDM4EALDH1A1
SCHEMBL13020238 0.87 HTT (0.73) VCPPSMC4HTTKDM4EALDH1A1
SCHEMBL13020199 0.85 HTT (0.76) VCPPSMC4HTTKDM4EALDH1A1
SCHEMBL5066872 0.81 VCP (0.73) VCPPSMC4HTTKDM4EALDH1A1
SCHEMBL12436137 0.80 RET (0.57) HTTKDM4EALDH1A1SRCABL1
SCHEMBL7827356 0.80 ALDH1A1 (0.46) VCPPSMC4KDM4EALDH1A1ADORA1
SCHEMBL13669424 0.79 VCP (1.00) VCPPSMC4HTTKDM4EALDH1A1
SCHEMBL13669446 0.79 VCP (1.00) VCPPSMC4HTTKDM4EALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080213900-A1 Engineered Protein Kinases Which Can Utilize Modified Nucleotide Triphosphate Substrates SHOKAT KEVAN 2008-09-04 US disclosed
US-20060263800-A1 Engineered protein kinases which can utilize modified nucleotide triphosphate substrates PRINCETON UNIVERSITY 2006-11-23 US disclosed
US-7049116-B2 Engineered protein kinases which can utilize modified nucleotide triphosphate substrates PRINCETON UNIVERSITY (US) 2006-05-23 US disclosed
US-7026461-B1 Radiolabeled nucleotide triphosphate compound where at least on phosphorus atom is radioactive that serves as a substrate for a mutant form of a wild-type kinase but not the wild-type form; kits; use of subtrate in assays to determine if test compounds can modulate said mutant enzyme PRINCETON UNIVERSITY (US) 2006-04-11 US disclosed
EP-1607481-A1 Engineered protein kinases which can utilize modified nucleotide triphosphate substrates PRINCETON UNIVERSITY (US) 2005-12-21 EP disclosed
EP-1017823-B1 ENGINEERED PROTEIN KINASES WHICH CAN UTILIZE MODIFIED NUCLEOTIDE TRIPHOSPHATE SUBSTRATES UNIV PRINCETON (US) 2004-07-14 EP disclosed
EP-1140938-B1 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF UNIV PRINCETON (US) 2003-08-27 EP disclosed
EP-1321467-A2 High affinity inhibitors for target validation and uses thereof Princeton University (US) 2003-06-25 EP disclosed
US-20030073218-A1 High affinity inhibitors for target validation and uses thereof PRINCETON UNIVERSITY 2003-04-17 US disclosed
US-6521417-B1 Incubating permeabilized cells expressing mutant kinase with radiolabeled analog; cytolysis, separation by sodium dodecyl sulfate polyacrylamide gel electrophoresis PRINCETON UNIVERSITY 2003-02-18 US disclosed
US-20020146797-A1 Engineered protein kinases which can utilize modified nucleotide triphosphate substrates PRINCETON UNIVERSITY. 2002-10-10 US disclosed
US-6390821-B1 PHOSPHORYLATION PRINCETON UNIVERSITY 2002-05-21 US disclosed
US-6383790-B1 PYRAZOLO(3,4-D)PYRIMIDINE BASED COMPOUND; ANTICARCINOGENIC AGENTS; ANTITUMOR AGENTS PRINCETON UNIVERSITY 2002-05-07 US disclosed
US-20020016976-A1 Engineered protein kinases which can utilize modified nucleotide triphosphate substrates PRINCETON UNIVERSITY 2002-02-07 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 (1 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-20030073218-A1 High affinity inhibitors for target validation and uses thereof SRC, MARCKS, TEC VCP 710/4885PSMC4 3179/4885HTT 3135/4885

“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.