SCHEMBL425642

SCHEMBL425642

Cc1ccc(-c2cnc3nc(OCCN4CCOCC4)nc(N4CCOCC4)c3c2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.42
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CA P42336 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
CHEK1 O14757 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
ACHE P22303 1/20 0.38
POLB P06746 1/20 0.38
SYK P43405 1/20 0.38
MTOR P42345 2/20 0.38
PDE10A Q9Y233 1/20 0.38
ALK Q9UM73 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NTRK1 P04629 1/20 0.38

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
SCHEMBL430672 0.88 PIK3CA (0.44) MEN1KMT2APIK3CAALDH1A1LMNA
SCHEMBL426084 0.82 MTOR (0.43) NPC1PIK3CAALDH1A1LMNAHIF1A
SCHEMBL426851 0.82 GAA (0.44) PIK3CAALDH1A1LMNA
SCHEMBL4127863 0.80 MKNK1 (0.41) PIK3CAALDH1A1MKNK1SYKMTOR
SCHEMBL4130811 0.80 MKNK1 (0.41) PIK3CAALDH1A1MKNK1ACHEPOLB
SCHEMBL425520 0.79 ACHE (0.42) NPC1MEN1KMT2AALDH1A1LMNA
SCHEMBL426019 0.79 MAOB (0.41) NPC1MEN1KMT2APIK3CAALDH1A1
SCHEMBL426104 0.79 AKT1 (0.46) NPC1MEN1KMT2APIK3CAMKNK1
SCHEMBL422993 0.79 ACHE (0.49) NPC1MEN1KMT2APIK3CAALDH1A1
SCHEMBL426091 0.77 MKNK1 (0.43) NPC1PIK3CAMKNK1POLBMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
WO-2007100759-A2 METHOD FOR TREATING COMMON VARIABLE IMMUNODEFICIENCY SYNTA PHARMACEUTICALS CORP. (US) 2007-09-07 WO 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 KIT 879/4885NPC1 452/4885MEN1 1246/4885
US-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 KIT 1723/4885NPC1 266/4885MEN1 1345/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 KIT 1071/4885NPC1 2090/4885MEN1 3751/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 KIT 1071/4885NPC1 2090/4885MEN1 3751/4885

“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.