SCHEMBL1965247

SCHEMBL1965247

COc1c[c]c(I)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 9/20 0.37
HTR2C P28335 4/20 0.37
ALDH1A1 P00352 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
TAAR1 Q96RJ0 3/20 0.35
HTR2B P41595 1/20 0.35
PRKDC P78527 1/20 0.34
LCK P06239 1/20 0.33

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
SCHEMBL1096975 0.80 CYP3A4 (0.37) POLBALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL1966208 0.78 HTR2A (0.35) HTR2AHTR2CMAPTHTR2B
SCHEMBL28536056 0.78 POLB (0.40) POLBL3MBTL1HTR2AHTR2CALDH1A1
SCHEMBL11358289 0.77 POLB (0.39) POLBL3MBTL1HTR2AHTR2CALDH1A1
SCHEMBL21708109 0.77 L3MBTL1 (0.39) POLBL3MBTL1HTR2AHTR2CALDH1A1
SCHEMBL27278791 0.75 POLB (0.38) POLBL3MBTL1HTR2AHTR2CALDH1A1
SCHEMBL28762463 0.75 POLB (0.38) POLBL3MBTL1HTR2AHTR2CALDH1A1
SCHEMBL1966175 0.75 LMNA (0.35) MAPT
SCHEMBL1965077 0.75 GAA (0.41) POLBL3MBTL1ALDH1A1MAPTNPSR1
SCHEMBL29198830 0.71 HTR2A (0.37) POLBL3MBTL1HTR2AHTR2CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4397691-B2 2010-01-13 JP claimed
US-20080125446-A1 Purine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2008-05-29 US claimed
US-7241890-B2 Purine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-10 US claimed
JP-2005511565-A 2005-04-28 JP claimed
US-20050049263-A1 Purine analogs having hsp90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-03-03 US claimed
EP-1440072-A4 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY CONFORMA THERAPEUTIC CORP (US) 2005-02-02 EP claimed
EP-1440072-A2 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY Conforma Therapeutic Corporation (US) 2004-07-28 EP claimed
WO-2003037860-A2 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY CONFORMA THERAPEUTICS CORPORATION (US) 2003-05-08 WO claimed
EP-2336133-A1 Purine analogs having HSP90-inhibiting activity Conforma Therapeutics Corporation (US) 2011-06-22 EP 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-20080125446-A1 Purine analogs having HSP90-inhibiting activity HSP90B1, HSP90AB1, HSP90AA1 POLB 606/4885L3MBTL1 3435/4885HTR2A 1361/4885
US-20050049263-A1 Purine analogs having hsp90-inhibiting activity HSP90B1, HSP90AB1, HSP90AA1 POLB 606/4885L3MBTL1 3435/4885HTR2A 1361/4885

“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.