SCHEMBL1966208

SCHEMBL1966208

COc1c[c]c(I)cc1I

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
HTR2B P41595 3/20 0.35
HTR1A P08908 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.31
ACHE P22303 1/20 0.30

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 0.84 CYP3A4 (0.37) CYP3A4CYP1A2TSHRMAPTACHE
SCHEMBL28176258 0.80 HTR2A (0.34) HTR2AHTR2CHTR2BHTR1ACYP3A4
SCHEMBL1966175 0.78 LMNA (0.35) CYP3A4LMNAMAPT
SCHEMBL1965247 0.78 POLB (0.38) HTR2AHTR2CHTR2BMAPT
SCHEMBL29198830 0.78 HTR2A (0.37) HTR2AHTR2CHTR2BHTR1ACYP3A4
SCHEMBL1965077 0.78 GAA (0.41) LMNAMAPTACHE
SCHEMBL481337 0.72 HTR2A (0.54) HTR2AHTR2CHTR2BHTR1ACYP3A4
SCHEMBL17339179 0.71 HTT (0.38) CYP3A4LMNAMAPT
SCHEMBL481617 0.69 HTR2A (0.47) HTR2AHTR2CHTR2BHTR1ACYP3A4
SCHEMBL1490317 0.69

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 HTR2A 1361/4885HTR2C 1565/4885HTR2B 1587/4885
US-20050049263-A1 Purine analogs having hsp90-inhibiting activity HSP90B1, HSP90AB1, HSP90AA1 HTR2A 1361/4885HTR2C 1565/4885HTR2B 1587/4885

“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.