SCHEMBL12844979

SCHEMBL12844979

Cn1nc(N=O)c2c(=O)[nH]cnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
BTK Q06187 1/20 0.41
DAPK3 O43293 1/20 0.38
PRKD3 O94806 1/20 0.38
PIM1 P11309 1/20 0.38
PDGFRA P16234 1/20 0.38
PRKACA P17612 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CDK8 P49336 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
MAP2K1 Q02750 1/20 0.38
PRKCQ Q04759 1/20 0.38
DYRK1A Q13627 1/20 0.38
PIM3 Q86V86 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CCNE2 O96020 1/20 0.36
CDK4 P11802 1/20 0.36

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
SCHEMBL17292789 0.78 DAPK3 (0.54) ALDH1A1BTKDAPK3PRKD3PIM1
SCHEMBL2558595 0.74 ALDH1A1 (0.45) ALDH1A1BTKDAPK3PRKD3PIM1
SCHEMBL2078062 0.72 ALDH1A1 (0.43) ALDH1A1BTKDAPK3PRKD3PIM1
SCHEMBL409487 0.71 PIK3CD (0.51) ALDH1A1DYRK1ACDK2SRCPIK3CD
SCHEMBL13061228 0.70 NOTUM (0.41) SRCPDE4APDE4BPDE4CPDE4D
SCHEMBL12845037 0.69 NOTUM (0.35) SRCPIK3CDKMT2A
SCHEMBL28497771 0.68 ADORA2B (0.45) ALDH1A1BTKPDE4AADORA2APDE4B
SCHEMBL1528682 0.67 ATAD2 (0.41) ALDH1A1CCNE2CDK4CCND1CCNE1
SCHEMBL17870124 0.66 PARP1 (0.38) ALDH1A1BTKDAPK3PRKD3PIM1
SCHEMBL18704203 0.65 ALDH1A1 (0.44) ALDH1A1DAPK3PRKD3PIM1PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 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-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 ALDH1A1 1266/4885BTK 2008/4885DAPK3 2670/4885

“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.