SCHEMBL2180936

SCHEMBL2180936

Cn1c(=O)c2nc(CNCCCNCCO)nnc2n(-c2ccc(F)cc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 5/20 0.39
DCTPP1 Q9H773 1/20 0.33
ADORA2B P29275 1/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HKDC1 Q2TB90 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
TDP2 O95551 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2182724 0.97 PCSK9 (0.39) PCSK9DCTPP1ADORA2BPOLBTP53
SCHEMBL3262395 0.90 DCTPP1 (0.34) PCSK9DCTPP1ADORA2BPOLBTP53
SCHEMBL2182311 0.89 DCTPP1 (0.35) PCSK9DCTPP1ADORA2BPOLBTP53
SCHEMBL2181412 0.88 RAD52 (0.38) PCSK9DCTPP1GAASMN1; SMN2KDM4E
SCHEMBL2182871 0.88 DCTPP1 (0.34) PCSK9DCTPP1ADORA2BPOLBTP53
SCHEMBL2181236 0.87 DCTPP1 (0.35) PCSK9DCTPP1ADORA2BPOLBTP53
SCHEMBL2182596 0.87 ALDH1A1 (0.37) PCSK9DCTPP1POLBTP53SMN1; SMN2
SCHEMBL2178907 0.86 PCSK9 (0.41) PCSK9DCTPP1POLBTP53SMN1; SMN2
SCHEMBL2182270 0.85 ALDH1A1 (0.37) DCTPP1POLBTP53GAASMN1; SMN2
SCHEMBL2181518 0.84 SCN5A (0.42) DCTPP1ADORA2BSMN1; SMN2KDM4EALDH1A1

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 PCSK9 1993/4885DCTPP1 49/4885ADORA2B 1389/4885

“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.