SCHEMBL428680

SCHEMBL428680

Cc1cccc(-c2ncc3nc(OCCN4CCOCC4)nc(N4CCOCC4)c3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.47
MTOR P42345 3/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TLR9 Q9NR96 1/20 0.42
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIK3CD O00329 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
ACHE P22303 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
STK4 Q13043 1/20 0.40

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
SCHEMBL10160975 0.84 MTOR (0.43) PIK3CAMTORKDM4EALDH1A1MEN1
SCHEMBL13759359 0.84 CRHR1 (0.43) PIK3CAKDM4EALDH1A1MEN1POLB
SCHEMBL427519 0.82 MKNK1 (0.43) PIK3CAMTORKDM4EALDH1A1TLR9
SCHEMBL426124 0.82 ALDH1A1 (0.48) PIK3CAMTORKDM4EALDH1A1MEN1
SCHEMBL425603 0.82 NOS1 (0.50) PIK3CAMTORKDM4EALDH1A1L3MBTL1
SCHEMBL424750 0.80 PRKDC (0.43) PIK3CAMTORSIGMAR1STK4STK3
SCHEMBL430672 0.79 PIK3CA (0.44) PIK3CAMTORKDM4EALDH1A1MEN1
SCHEMBL426617 0.77 PIK3CA (0.46) PIK3CAMTORKDM4EALDH1A1MEN1
SCHEMBL430091 0.76 TDO2 (0.43) PIK3CAMTORPIK3CDMKNK1
SCHEMBL422993 0.73 ACHE (0.49) PIK3CAKDM4EALDH1A1MEN1KMT2A

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 24 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
US-20050250770-A1 Fused heterocyclic compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US 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-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 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
US-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed
US-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 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
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20050250770-A1 Fused heterocyclic compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US 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 PIK3CA 2415/4885MTOR 1383/4885KDM4E 3523/4885
US-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 PIK3CA 1307/4885MTOR 2052/4885KDM4E 3697/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 PIK3CA 4463/4885MTOR 3130/4885KDM4E 1015/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 PIK3CA 4463/4885MTOR 3130/4885KDM4E 1015/4885

“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.