SCHEMBL4065845

SCHEMBL4065845

O=C1Cc2cc(Br)c(Br)cc2N1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.60
CMA1 P23946 2/20 0.60
EIF2AK2 P19525 1/20 0.48
PDK2 Q15119 1/20 0.47
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
TDP2 O95551 2/20 0.43
EPHX2 P34913 1/20 0.42
PGR P06401 3/20 0.41
GRIA1 P42261 2/20 0.41
CACNG8 Q8WXS5 2/20 0.41
IDO1 P14902 1/20 0.40
KIF11 P52732 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
GAA P10253 2/20 0.38
CRBN Q96SW2 1/20 0.38

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
SCHEMBL1847559 0.84 AHR (0.53) AHRCMA1EIF2AK2PDK2PDE3B
SCHEMBL153860 0.84 AHR (0.53) AHRCMA1EIF2AK2PDK2PDE3B
SCHEMBL16050307 0.84 AHR (0.53) AHRCMA1EIF2AK2PDK2PDE3B
SCHEMBL4500799 0.84 AHR (0.53) AHRCMA1EIF2AK2PDK2PDE3B
SCHEMBL4297332 0.84 AHR (0.53) AHRCMA1EIF2AK2PDK2PDE3B
SCHEMBL30224280 0.84 AHR (0.53) AHRCMA1EIF2AK2PDK2PDE3B
SCHEMBL31010750 0.84 AHR (0.59) AHRCMA1EIF2AK2PDK2PDE3B
SCHEMBL31040248 0.80 AHR (0.49) AHRCMA1EIF2AK2PDE3BPDE3A
SCHEMBL3205007 0.80 AHR (0.49) AHRCMA1EIF2AK2PDK2PDE3B
SCHEMBL31335802 0.80 AHR (0.49) AHRCMA1EIF2AK2PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP claimed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US claimed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP claimed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO claimed
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090149460-A1 New Compounds BERG STEFAN 2009-06-11 US disclosed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP disclosed
US-7399780-B2 3-Heterocyclyl-indole inhibitors of glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2008-07-15 US disclosed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US disclosed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 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-20090149460-A1 New Compounds SDHA, CYP11B2, SERPINB1 AHR 3763/4885CMA1 342/4885EIF2AK2 2538/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 AHR 2669/4885CMA1 247/4885EIF2AK2 2357/4885

“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.