SCHEMBL2182996

SCHEMBL2182996

Cn1c(=O)c2nc(CNCCCN3CCCCC3)nnc2n(C2CCCC2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.36
ATM Q13315 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSK P43235 1/20 0.35
ADORA2A P29274 7/20 0.35
ADORA3 P0DMS8 1/20 0.35
POLB P06746 1/20 0.34
PIK3CA P42336 1/20 0.33
ADORA2B P29275 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 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
SCHEMBL2182836 0.91 POLB (0.43) MEN1KMT2AL3MBTL1CTSKPOLB
SCHEMBL2182884 0.88 ADORA2A (0.38) MEN1KMT2AADORA2APIK3CAADORA2B
SCHEMBL2181754 0.87 ADORA2A (0.37) MTORATMMEN1KMT2AADORA2A
SCHEMBL2181516 0.87 ADORA2A (0.37) MEN1KMT2AADORA2APIK3CAADORA2B
SCHEMBL2182767 0.86 POLB (0.43) MEN1KMT2AADORA2AADORA3POLB
SCHEMBL2181108 0.85 ADORA2A (0.38) MEN1KMT2AADORA2AADORA2BLMNA
SCHEMBL2184114 0.85 ADORA2A (0.36) MTORATMCTSKADORA2APOLB
SCHEMBL2182538 0.85 ADORA2A (0.36) ADORA2AJAK2JAK1JAK3
SCHEMBL2182971 0.85 POLB (0.39) MTORATMMEN1KMT2AL3MBTL1
SCHEMBL2181572 0.84 ADORA2A (0.36) ATMCTSKADORA2APIK3CAADORA2B

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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR MTOR 2329/4885ATM 1302/4885MEN1 2044/4885

“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.