SCHEMBL2182871

SCHEMBL2182871

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.34
DPP4 P27487 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
HKDC1 Q2TB90 3/20 0.32
TP53 P04637 3/20 0.32
HTT P42858 3/20 0.32
LMNA P02545 1/20 0.32
MAOB P27338 3/20 0.32
PCSK9 Q8NBP7 1/20 0.32
MAPT P10636 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOA P21397 2/20 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
SCHEMBL2182311 0.97 DCTPP1 (0.35) DCTPP1DPP4POLBSMN1; SMN2HKDC1
SCHEMBL3262395 0.90 DCTPP1 (0.34) DCTPP1POLBSMN1; SMN2HKDC1TP53
SCHEMBL2181236 0.89 DCTPP1 (0.35) DCTPP1POLBSMN1; SMN2HKDC1TP53
SCHEMBL2181412 0.88 RAD52 (0.38) DCTPP1SMN1; SMN2PCSK9TSHRHSD17B10
SCHEMBL2180936 0.88 PCSK9 (0.39) DCTPP1POLBSMN1; SMN2HKDC1TP53
SCHEMBL2182270 0.87 ALDH1A1 (0.37) DCTPP1POLBSMN1; SMN2HKDC1TP53
SCHEMBL2182724 0.87 PCSK9 (0.39) DCTPP1POLBSMN1; SMN2HKDC1TP53
SCHEMBL2182596 0.86 ALDH1A1 (0.37) DCTPP1POLBSMN1; SMN2HKDC1TP53
SCHEMBL2181518 0.85 SCN5A (0.42) DCTPP1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL2180522 0.85 TSHR (0.35) DCTPP1POLBSMN1; SMN2HKDC1TP53

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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US disclosed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO 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 DCTPP1 49/4885DPP4 82/4885POLB 312/4885

“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.