SCHEMBL1966175

SCHEMBL1966175

COc1c[c]c(I)cc1F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
TUBB1 Q9H4B7 3/20 0.34
KDM1A O60341 2/20 0.33
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31

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) MAPK1CYP3A4MAPT
SCHEMBL2351921 0.78 RAB9A (0.37) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL1966208 0.78 HTR2A (0.35) LMNACYP3A4MAPT
SCHEMBL28188574 0.77 LMNA (0.36) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL25181953 0.75 KDM1A (0.36) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL28716937 0.75 LMNA (0.39) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL1965077 0.75 GAA (0.41) LMNAMAPK1RAB9AMAPT
SCHEMBL2353746 0.75 RAB9A (0.35) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL1965247 0.75 POLB (0.38) MAPT
SCHEMBL1095995 0.75 LMNA (0.35) LMNAMAPK1HTTRAB9ATUBB1

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 LMNA 3825/4885MAPK1 1139/4885HTT 309/4885
US-20050049263-A1 Purine analogs having hsp90-inhibiting activity HSP90B1, HSP90AB1, HSP90AA1 LMNA 3825/4885MAPK1 1139/4885HTT 309/4885

“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.