SCHEMBL4842275

SCHEMBL4842275

Brc1cnc2[nH]c(-c3ccc[nH]3)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 5/20 0.37
AURKB Q96GD4 5/20 0.37
KDR P35968 4/20 0.37
CLK4 Q9HAZ1 4/20 0.37
ABL1 P00519 4/20 0.37
RET P07949 3/20 0.37
CDK7 P50613 3/20 0.37
PRKAA1 Q13131 3/20 0.37
AURKA O14965 3/20 0.35
JAK2 O60674 3/20 0.35
DYRK1A Q13627 3/20 0.35
MAP4K2 Q12851 3/20 0.35
PRKD3 O94806 2/20 0.35
MAP4K4 O95819 2/20 0.35
FGFR1 P11362 2/20 0.35
FLT1 P17948 2/20 0.35
CLK2 P49760 2/20 0.35
TAOK1 Q7L7X3 2/20 0.35
FLT3 P36888 2/20 0.35
LIMK1 P53667 2/20 0.35

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
SCHEMBL13607760 0.77 PTGES (0.51) CDK5AURKBKDRCLK4AURKA
SCHEMBL8190396 0.76 ESR1 (0.48) AURKBAURKACDK1CDK2KDM4E
SCHEMBL4840365 0.75 SMN1; SMN2 (0.41) CDK5AURKBKDRCLK4ABL1
SCHEMBL13607843 0.73 METAP2 (0.53) KDM4EALDH1A1LMNAMAPTPKM
SCHEMBL4842304 0.73 DYRK1A (0.37) CDK5AURKBKDRCLK4ABL1
SCHEMBL8190402 0.73 ESR1 (0.62) ALDH1A1LMNAESR1RAB9A
SCHEMBL20708511 0.72 PTGES (0.55) CDK5AURKBKDRCLK4ABL1
SCHEMBL13607846 0.72 PTGES (0.55) CDK5AURKBKDRCLK4AURKA
SCHEMBL13607769 0.72 CHEK2 (0.43) CDK5AURKBKDRCLK4ABL1
SCHEMBL9692091 0.72 NPC1 (0.47) CDK5AURKBKDRCLK4ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 CDK5 283/4885AURKB 438/4885KDR 2160/4885

“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.