SCHEMBL13368486

SCHEMBL13368486

Cc1cnc(/C(N)=N\O)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.39
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
NPC1 O15118 6/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
BLM P54132 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL25919373 1.00 POLB (0.39) POLBADRA2AADRA2BADRA2CNPC1
SCHEMBL1726669 0.77 HSP90AA1 (0.34) SMN1; SMN2
SCHEMBL1726668 0.77 HSP90AA1 (0.34) SMN1; SMN2
SCHEMBL1179356 0.75 NOS3 (0.45) NPC1RAB9AGAAL3MBTL1KMT2A
SCHEMBL25429065 0.75 SIRT6 (0.59) ADRA2AADRA2BADRA2C
SCHEMBL16834187 0.75 SIRT6 (0.62) RAB9ASMN1; SMN2GAALMNA
SCHEMBL16834188 0.75 SIRT6 (0.62) RAB9ASMN1; SMN2GAALMNA
SCHEMBL17394908 0.75 NNMT (0.40)
SCHEMBL17394909 0.75 NNMT (0.40)
SCHEMBL14893441 0.74 BAZ2B (0.48) POLBADRA2AADRA2BADRA2CNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120794-A1 Cycloalkylamino Acid Derivatives BHATTACHARYA SAMIT KUMAR 2010-05-13 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-20100120794-A1 Cycloalkylamino Acid Derivatives CCND1, CCND2, CCND3 POLB 373/4885ADRA2A 2476/4885ADRA2B 1870/4885

“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.