SCHEMBL6807733

SCHEMBL6807733

O=C1NCc2c1ccc1nn[nH]c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.41
CLK4 Q9HAZ1 4/20 0.41
PIM1 P11309 3/20 0.41
ROCK1 Q13464 3/20 0.41
CDK5 Q00535 2/20 0.41
CSNK1A1 P48729 1/20 0.41
LRRK2 Q5S007 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
LTK P29376 1/20 0.36
MST1R Q04912 1/20 0.36
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
ACHE P22303 1/20 0.33
ROCK2 O75116 3/20 0.32
PLK4 O00444 2/20 0.32
MAP4K4 O95819 2/20 0.32
FLT4 P35916 2/20 0.32

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
SCHEMBL31451620 0.73 CDK5 (0.41) DYRK1ACLK4PIM1ROCK1CDK5
SCHEMBL25757652 0.73 CDK5 (0.41) DYRK1ACLK4PIM1ROCK1CDK5
SCHEMBL5873807 0.68 AHR (0.35) CDK5GSK3AGSK3BCDK2
SCHEMBL599458 0.66 DYRK1A (0.42) DYRK1ACLK4PIM1ROCK1CDK5
SCHEMBL16335317 0.66 DYRK1A (0.40) DYRK1ACLK4PIM1ROCK1CDK5
SCHEMBL18022667 0.63 MEN1 (0.46) DYRK1ACLK4PIM1ROCK1CDK5
SCHEMBL5893935 0.62 CES1 (0.44) DYRK1ACLK4PIM1ROCK1CDK5
SCHEMBL5893583 0.62 CES1 (0.44) CA12CA9MAP3K11
SCHEMBL25134030 0.62 ROCK1 (0.47) DYRK1ACLK4PIM1ROCK1CDK5
SCHEMBL11450232 0.62 CDK5 (0.47) DYRK1ACLK4PIM1ROCK1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092539-A1 Substituted 6-benzyl-4-oxopyrimidines, process for their preparation and pharmaceutical compositions containing them COLLA PAOLO LA (IT) 2004-05-13 US claimed
CN-1309647-A Substd. 6-benzyl-4-oxopyrimidines, process for their preparation and pharmaceutical compositions contg. them NOVIRIO PHARMACEUTICALS LTD (KY) 2001-08-22 CN claimed
EP-1098887-A1 SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Novirio Pharmaceuticals Limited (KY) 2001-05-16 EP claimed
WO-2000003998-A1 SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVIRIO PHARMACEUTICALS LIMITED (KY) 2000-01-27 WO claimed
US-6602664-B2 Treatment of HIV-infected human in alternation or combination with second anti-HIV drug that induces mutation pattern at other than 70th codon of reverse transcriptase region location; drug resistance, pharmokinetics EMORY UNIVERSITY 2003-08-05 US disclosed
US-20010009906-A1 Use of 3'-azido-2' ,3' -dideoxyuridine SCHINAZI RAYMOND F (US) 2001-07-26 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 (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-20010009906-A1 Use of 3'-azido-2' ,3' -dideoxyuridine NSUN2, DUT, DUS2 DYRK1A 1504/4885CLK4 2638/4885PIM1 1821/4885
US-20040092539-A1 Substituted 6-benzyl-4-oxopyrimidines, process for their preparation and pharmaceutical compositions containing them TYMP, UMPS, TYMS DYRK1A 4654/4885CLK4 4650/4885PIM1 1802/4885

“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.