SCHEMBL4688259

SCHEMBL4688259

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.42
STAT6 P42226 3/20 0.41
PLK4 O00444 3/20 0.41
INSR P06213 1/20 0.41
ABL1 P00519 2/20 0.40
NTRK1 P04629 2/20 0.40
YES1 P07947 2/20 0.40
KDR P35968 2/20 0.40
MAPK1 P28482 2/20 0.40
PIM1 P11309 1/20 0.40
HIPK1 Q86Z02 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39

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 0.93 NR1H2 (0.41) JAK2STAT6PLK4INSRABL1
SCHEMBL4690096 0.86 NR1H2 (0.51) JAK2STAT6PLK4INSRABL1
SCHEMBL4684739 0.79 NR1H2 (0.38) ALDH1A1GAAMAPT
SCHEMBL3487282 0.78 NR1H2 (0.46) JAK2STAT6PLK4INSRABL1
SCHEMBL4685658 0.72 NR1H2 (0.46) ALDH1A1GAAMAPT
SCHEMBL5750387 0.71 NR1H2 (0.51) JAK2STAT6PLK4NTRK1MAPK1
SCHEMBL4691823 0.71 NR1H2 (0.56) JAK2STAT6PLK4ABL1NTRK1
SCHEMBL4690915 0.67 NR1H2 (0.73) MAPK1ALDH1A1MAPTTDP1
SCHEMBL4684768 0.65 NR1H2 (0.69) MAPK1ALDH1A1MAPTTDP1
SCHEMBL521049 0.65 PIK3CA (0.56) MAPK1KDM4EALDH1A1POLBGAA

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-1646625-B1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP claimed
US-20060189663-A1 Pyrrole-2,5-dithione derivatives as liver x receptor modulators ASTRAZENECA AB (SE) 2006-08-24 US claimed
EP-1646625-A1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-04-19 EP claimed
WO-2005005416-A1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-01-20 WO claimed
EP-1646625-B1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP 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 (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-20060189663-A1 Pyrrole-2,5-dithione derivatives as liver x receptor modulators NR1H2, NR1H3, NR1H4 JAK2 2855/4885STAT6 2279/4885PLK4 1539/4885

“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.