SCHEMBL2183251

SCHEMBL2183251

Cn1c(=O)c2nc(NCCCN3CCNCC3)nnc2n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
HTR2A P28223 3/20 0.41
HTR1A P08908 2/20 0.41
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
DPP4 P27487 2/20 0.38
SRC P12931 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 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
SCHEMBL2180599 0.93 CA1 (0.42) POLBHTR2AHTR1AALDH1A1THRB
SCHEMBL2179252 0.88 SRC (0.47) POLBHTR2AHTR1AMAPK1SRC
SCHEMBL2181386 0.88 POLB (0.48) POLBHTR2AHTR1AMAPK1ALDH1A1
SCHEMBL2181863 0.86 GAA (0.39) POLBHTR2AHTR1ASRCCA1
SCHEMBL2180928 0.83 DCTPP1 (0.39) POLBHTR2AHTR1AALDH1A1SRC
SCHEMBL2182779 0.82 POLB (0.41) POLBHTR2AHTR1AMAPK1ALDH1A1
SCHEMBL2180216 0.81 LMNA (0.44) POLBMAPK1ALDH1A1SRC
SCHEMBL2180487 0.81 SRC (0.41) POLBHTR2AHTR1AALDH1A1SRC
SCHEMBL2183064 0.80 ALDH1A1 (0.39) MAPK1ALDH1A1DPP4TLR7
SCHEMBL2182226 0.80 USP2 (0.41) MAPK1DPP4SRCCA1CA2

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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
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 (2 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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 POLB 254/4885HTR2A 2864/4885HTR1A 2622/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR POLB 312/4885HTR2A 3556/4885HTR1A 4329/4885

“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.