SCHEMBL4690096

SCHEMBL4690096

Nc1ccc(CN2C(=O)C(Nc3ccc(N4CCOCC4)cc3)=C(c3ccccc3)C2=O)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.51
NR1H3 Q13133 6/20 0.51
PLK4 O00444 2/20 0.43
RPS6KA3 P51812 1/20 0.43
RPS6KA2 Q15349 1/20 0.43
JAK2 O60674 2/20 0.42
MAPK1 P28482 2/20 0.42
ABL1 P00519 2/20 0.42
NTRK1 P04629 2/20 0.42
YES1 P07947 2/20 0.42
KDR P35968 2/20 0.42
PIM1 P11309 1/20 0.42
HIPK1 Q86Z02 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4685753 0.92 NR1H2 (0.41) NR1H2NR1H3PLK4RPS6KA3RPS6KA2
SCHEMBL4688259 0.86 JAK2 (0.42) PLK4RPS6KA3RPS6KA2JAK2MAPK1
SCHEMBL4691823 0.85 NR1H2 (0.56) NR1H2NR1H3PLK4JAK2MAPK1
SCHEMBL5750387 0.85 NR1H2 (0.51) NR1H2NR1H3PLK4JAK2MAPK1
SCHEMBL3487282 0.84 NR1H2 (0.46) NR1H2NR1H3PLK4RPS6KA3RPS6KA2
SCHEMBL4690915 0.81 NR1H2 (0.73) NR1H2NR1H3MAPK1ALDH1A1MAPT
SCHEMBL4684834 0.79 NR1H2 (0.55) NR1H2NR1H3ALDH1A1MAPTNAMPT
SCHEMBL4689410 0.75 NR1H2 (0.51) NR1H2NR1H3PLK4RPS6KA3RPS6KA2
SCHEMBL5745684 0.72 NR1H2 (0.58) NR1H2NR1H3ABL1MAPTNAMPT
SCHEMBL4685658 0.71 NR1H2 (0.46) NR1H2NR1H3ALDH1A1GAAMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646626-B1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP claimed
US-7432288-B2 Pyrrole-2,5-dione derivatives as Liver X receptor modulators ASTRAZENECA AB (SE) 2008-10-07 US disclosed
EP-1646626-B1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP disclosed
EP-1646625-B1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP disclosed
US-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators ASTRAZENECA AB (SE) 2006-10-19 US disclosed
US-20060189663-A1 Pyrrole-2,5-dithione derivatives as liver x receptor modulators ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1646625-A1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-04-19 EP disclosed
WO-2005005416-A1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-01-20 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-20060189663-A1 Pyrrole-2,5-dithione derivatives as liver x receptor modulators NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885PLK4 1539/4885
US-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators NR1H2, NR1H3, SREBF2 NR1H2 1/4885NR1H3 2/4885PLK4 1724/4885

“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.