SCHEMBL2182140

SCHEMBL2182140

Cn1c(=O)c2nc(NCCN3CCCCC3)nnc2n(C2CCCC2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.37
ADORA3 P0DMS8 1/20 0.36
MTOR P42345 1/20 0.35
ATM Q13315 1/20 0.35
SRC P12931 1/20 0.35
ADORA2B P29275 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
KAT2B Q92831 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
CACNA1G O43497 1/20 0.34
HTR3A P46098 1/20 0.34

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
SCHEMBL2182971 0.94 POLB (0.39) ADORA2AADORA3MTORATMSRC
SCHEMBL2181800 0.93 SRC (0.36) ADORA2ASRCKAT2B
SCHEMBL2181998 0.91 GAA (0.40) ADORA2AGAA
SCHEMBL2182344 0.91 ALDH1A1 (0.42)
SCHEMBL2184891 0.87 SRC (0.41) ADORA2ASRCGAA
SCHEMBL2182366 0.86 ADORA2A (0.39) ADORA2AADORA2BJAK2JAK1JAK3
SCHEMBL2182414 0.86 ADORA2A (0.39) ADORA2AMTORADORA2BJAK2JAK1
SCHEMBL2180216 0.85 LMNA (0.44) SRCLMNAGAAKAT2BJAK2
SCHEMBL2184055 0.85 POLB (0.48) SRCLMNAGAA
SCHEMBL2181863 0.85 GAA (0.39) ADORA2ASRCGAA

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 3 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
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 (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 ADORA2A 2201/4885ADORA3 2216/4885MTOR 2582/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR ADORA2A 836/4885ADORA3 702/4885MTOR 2329/4885

“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.