SCHEMBL428110

SCHEMBL428110

Cc1cccc(-c2ccc3nc(OCC(C)(C)O)nc(N4CCOCC4)c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.47
MAPK1 P28482 7/20 0.47
CLK4 Q9HAZ1 7/20 0.47
HIF1A Q16665 7/20 0.47
ALDH1A1 P00352 7/20 0.47
CYP3A4 P08684 7/20 0.47
CYP1A2 P05177 6/20 0.47
TSHR P16473 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
CYP2C19 P33261 4/20 0.47
CYP2D6 P10635 3/20 0.47
USP2 O75604 2/20 0.47
PDE10A Q9Y233 2/20 0.45
PIK3CA P42336 2/20 0.44
EGLN1 Q9GZT9 1/20 0.44
MTOR P42345 2/20 0.43
STK4 Q13043 1/20 0.41
STK3 Q13188 1/20 0.41
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL427063 0.87 LMNA (0.49) LMNAMAPK1CLK4HIF1AALDH1A1
SCHEMBL423639 0.85 HIF1A (0.51) LMNAMAPK1CLK4HIF1AALDH1A1
SCHEMBL426124 0.84 ALDH1A1 (0.48) LMNAMAPK1CLK4HIF1AALDH1A1
SCHEMBL425565 0.80 TYK2 (0.54) LMNAMAPK1CLK4HIF1AALDH1A1
SCHEMBL14412719 0.80 PIK3CA (0.55) LMNAMAPK1CLK4HIF1AALDH1A1
SCHEMBL429389 0.78 ALDH1A1 (0.48) LMNAMAPK1CLK4HIF1AALDH1A1
SCHEMBL4137879 0.78 SMN1; SMN2 (0.54) LMNAMAPK1CLK4HIF1AALDH1A1
SCHEMBL4121396 0.75 CLK4 (0.73) LMNAMAPK1CLK4HIF1AALDH1A1
SCHEMBL422993 0.75 ACHE (0.49) LMNAMAPK1CLK4HIF1AALDH1A1
SCHEMBL426617 0.72 PIK3CA (0.46) LMNAALDH1A1TSHRMEN1KMT2A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US claimed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US claimed
EP-1687002-A4 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2008-07-23 EP claimed
JP-2007510745-A 2007-04-26 JP claimed
EP-1687002-A1 FUSED HETEROCYCLIC COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP claimed
US-20050250770-A1 Fused heterocyclic compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US claimed
WO-2005046698-A1 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO claimed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
EP-1687002-A4 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2008-07-23 EP disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
EP-1687002-A1 FUSED HETEROCYCLIC COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP disclosed
US-20050250770-A1 Fused heterocyclic compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
WO-2005046698-A1 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 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 (4 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-20050250770-A1 Fused heterocyclic compounds IL2, IL4, IL15 LMNA 1697/4885MAPK1 3793/4885CLK4 2382/4885
US-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 LMNA 1387/4885MAPK1 3755/4885CLK4 2558/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 LMNA 3579/4885MAPK1 3184/4885CLK4 3811/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 LMNA 3579/4885MAPK1 3184/4885CLK4 3811/4885

“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.