SCHEMBL423639

SCHEMBL423639

COCCOc1nc(N2CCOCC2)c2cc(-c3cccc(C)c3)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.51
ALDH1A1 P00352 6/20 0.51
MAPK1 P28482 5/20 0.51
LMNA P02545 5/20 0.51
CLK4 Q9HAZ1 4/20 0.51
TSHR P16473 4/20 0.51
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
USP2 O75604 2/20 0.51
CYP2D6 P10635 1/20 0.51
KDM1A O60341 2/20 0.47
PDE10A Q9Y233 2/20 0.47
PIK3CA P42336 2/20 0.44
MTOR P42345 1/20 0.44
TP53 P04637 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
BRD4 O60885 1/20 0.43

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 0.91 LMNA (0.49) HIF1AALDH1A1MAPK1LMNACLK4
SCHEMBL426124 0.89 ALDH1A1 (0.48) HIF1AALDH1A1MAPK1LMNACLK4
SCHEMBL425565 0.85 TYK2 (0.54) HIF1AALDH1A1MAPK1LMNACLK4
SCHEMBL429389 0.85 ALDH1A1 (0.48) HIF1AALDH1A1MAPK1LMNACLK4
SCHEMBL428110 0.85 LMNA (0.47) HIF1AALDH1A1MAPK1LMNACLK4
SCHEMBL428014 0.85 KDM1A (0.45) HIF1AALDH1A1MAPK1LMNACLK4
SCHEMBL422993 0.80 ACHE (0.49) HIF1AALDH1A1MAPK1LMNACLK4
SCHEMBL14412719 0.79 PIK3CA (0.55) HIF1AALDH1A1MAPK1LMNACLK4
SCHEMBL4137879 0.79 SMN1; SMN2 (0.54) HIF1AALDH1A1MAPK1LMNACLK4
SCHEMBL10160975 0.77 MTOR (0.43) ALDH1A1MEN1KMT2APDE10APIK3CA

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 HIF1A 1366/4885ALDH1A1 842/4885MAPK1 3793/4885
US-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 HIF1A 2263/4885ALDH1A1 1338/4885MAPK1 3755/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 HIF1A 3330/4885ALDH1A1 3468/4885MAPK1 3184/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 HIF1A 3330/4885ALDH1A1 3468/4885MAPK1 3184/4885

“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.