SCHEMBL2302176

SCHEMBL2302176

CCOC(=O)C(F)(F)CN(c1nc(Cl)ncc1[N+](=O)[O-])C1CCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
PIN1 Q13526 7/20 0.34
NFKB1 P19838 2/20 0.33
ATF1 P18846 1/20 0.33
THRB P10828 2/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CNR2 P34972 1/20 0.32
VCAM1 P19320 1/20 0.32
XPO1 O14980 1/20 0.31
JUN P05412 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
GPR55 Q9Y2T6 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
SCHEMBL1675935 0.99 MEN1 (0.35) MEN1GAAKMT2APIN1NFKB1
SCHEMBL1560434 0.98 KMT2A (0.37) MEN1GAAKMT2APIN1NFKB1
SCHEMBL30938311 0.97 PIN1 (0.34) MEN1GAAKMT2APIN1NFKB1
SCHEMBL29259965 0.97 PIN1 (0.34) MEN1GAAKMT2APIN1NFKB1
SCHEMBL1675888 0.91 MEN1 (0.35) MEN1GAAKMT2APIN1NFKB1
SCHEMBL1675637 0.90 PIN1 (0.32) PIN1NFKB1ATF1THRB
SCHEMBL1675679 0.90 KMT2A (0.36) MEN1GAAKMT2APIN1THRB
SCHEMBL1675627 0.90 MEN1 (0.35) MEN1GAAKMT2APIN1NFKB1
SCHEMBL1675760 0.90 PIN1 (0.35) MEN1GAAKMT2APIN1NFKB1
SCHEMBL1675571 0.89 ALDH1A1 (0.36) MEN1GAAKMT2APIN1NFKB1

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
CN-118076607-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
US-8003785-B2 Halo-substituted pyrimidodiazepines TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2011-08-23 US disclosed
US-20090318408-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 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-20090318408-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 MEN1 1346/4885GAA 2876/4885KMT2A 663/4885

“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.