SCHEMBL2182836

SCHEMBL2182836

Cn1c(=O)c2nc(CNCCCN3CCOCC3)nnc2n(C2CCCC2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.40
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CTSK P43235 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 4/20 0.37
GAA P10253 2/20 0.37
PDE4B Q07343 1/20 0.36
PDE7A Q13946 1/20 0.36
TSHR P16473 1/20 0.36
MAP3K11 Q16584 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
EPHX1 P07099 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL2182996 0.91 MTOR (0.36) POLBMEN1KMT2ACTSKGAA
SCHEMBL2180739 0.86 POLB (0.53) POLBALDH1A1CYP2C19CYP3A4CYP2D6
SCHEMBL2184055 0.86 POLB (0.48) POLBALDH1A1MEN1KMT2ACTSK
SCHEMBL2182884 0.85 ADORA2A (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL2181516 0.84 ADORA2A (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL2181754 0.84 ADORA2A (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL2181108 0.83 ADORA2A (0.38) ALDH1A1MEN1KMT2AMAPK1LMNA
SCHEMBL2184114 0.82 ADORA2A (0.36) POLBCYP2D6CTSKSMN1; SMN2
SCHEMBL2182538 0.82 ADORA2A (0.36)
SCHEMBL2182344 0.82 ALDH1A1 (0.42) POLBALDH1A1MEN1KMT2ASMN1; SMN2

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 POLB 312/4885ALDH1A1 245/4885CYP2C19 381/4885

“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.