SCHEMBL4559176

SCHEMBL4559176

NC(=O)c1c(Oc2ccc3ccccc3c2)nc(N)nc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
ADORA2A P29274 5/20 0.44
ADORA1 P30542 3/20 0.43
SRC P12931 3/20 0.40
RIPK2 O43353 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
CHEK2 O96017 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
RCE1 Q9Y256 1/20 0.38
SCN9A Q15858 1/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL4559145 0.88 ADORA2A (0.56) ADORA2AADORA1MEN1KMT2AGAA
SCHEMBL5686125 0.81 PARP10 (0.50) SIRT2ADORA2AGAACHEK2MAPT
SCHEMBL4559639 0.79 ADORA2A (0.39) ADORA2AADORA1MEN1KMT2AGAA
SCHEMBL4559387 0.77 LMNA (0.45) ADORA2ASRCALDH1A1LMNASCN9A
SCHEMBL4559990 0.77 ALDH1A1 (0.46) ADORA2AADORA1MEN1KMT2AGAA
SCHEMBL5686383 0.75 BTK (0.41) ADORA2AADORA1MEN1KMT2AGAA
SCHEMBL5689008 0.74 LMNA (0.43) ADORA2AADORA1MEN1KMT2AGAA
SCHEMBL5686147 0.74 MGMT (0.45) ADORA2AADORA1ALDH1A1MAPTKDM4E
SCHEMBL16465331 0.71 GAA (0.45) ADORA2AADORA1MEN1KMT2AGAA
SCHEMBL15621967 0.69 DHFR (0.52) ADORA2AADORA1MEN1KMT2AGAA

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-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 SIRT2 1910/4885SIRT1 535/4885SIRT3 1905/4885

“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.