SCHEMBL2180216

SCHEMBL2180216

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KAT2B Q92831 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.39
SRC P12931 1/20 0.39
TSHR P16473 3/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 1/20 0.38
PIM1 P11309 1/20 0.36
KDM4E B2RXH2 2/20 0.36
JAK2 O60674 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36

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
SCHEMBL2181386 0.93 POLB (0.48) LMNAGAAKMT2AMEN1POLB
SCHEMBL2180487 0.90 SRC (0.41) LMNAGAAPOLBKAT2BALDH1A1
SCHEMBL2180599 0.88 CA1 (0.42) LMNAKMT2AMEN1POLBALDH1A1
SCHEMBL2182586 0.88 POLB (0.51) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL2182140 0.85 ADORA2A (0.37) LMNAGAAKAT2BSRCJAK2
SCHEMBL2179252 0.83 SRC (0.47) GAAPOLBMAPK1SRCHTT
SCHEMBL2182055 0.83 SIGMAR1 (0.46) KMT2AMEN1KAT2BALDH1A1SRC
SCHEMBL2183251 0.81 POLB (0.47) POLBALDH1A1MAPK1SRC
SCHEMBL2182443 0.81 LMNA (0.43) LMNAGAAKMT2AMEN1POLB
SCHEMBL2181498 0.80 CYP2C19 (0.46) LMNAGAAKMT2AMEN1POLB

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 LMNA 1229/4885GAA 2804/4885KMT2A 1459/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR LMNA 4719/4885GAA 1134/4885KMT2A 2750/4885

“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.