SCHEMBL429368

SCHEMBL429368

O=C(Nc1cccc(O)c1)C(=O)Nc1cc(OCCc2ccccn2)nc(N2CCOCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.54
PIK3CG P48736 5/20 0.54
PIK3CB P42338 4/20 0.54
NPC1 O15118 1/20 0.47
STAT3 P40763 1/20 0.47
STAT1 P42224 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TYK2 P29597 2/20 0.46
SYK P43405 2/20 0.46
IRAK4 Q9NWZ3 2/20 0.46
BRSK1 Q8TDC3 1/20 0.46
KMT2A Q03164 1/20 0.44
AKT1 P31749 1/20 0.43
PIK3CD O00329 1/20 0.41
MTOR P42345 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
FES P07332 1/20 0.41
FER P16591 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
SCHEMBL430896 0.91 TYK2 (0.49) PIK3CAPIK3CGPIK3CBNPC1RAB9A
SCHEMBL424640 0.86 TYK2 (0.65) PIK3CAPIK3CGPIK3CBNPC1STAT3
SCHEMBL429014 0.85 TYK2 (0.49) PIK3CAPIK3CGPIK3CBNPC1RAB9A
SCHEMBL428876 0.79 TYK2 (0.48) PIK3CAPIK3CGPIK3CBTYK2SYK
SCHEMBL428720 0.79 TYK2 (0.49) PIK3CAPIK3CGPIK3CBNPC1RAB9A
SCHEMBL3117453 0.77 PIK3CA (0.52) PIK3CAPIK3CGPIK3CBTYK2SYK
SCHEMBL14530441 0.77 NPC1 (0.48) NPC1STAT3STAT1RAB9ASMN1; SMN2
SCHEMBL426412 0.77 PIK3CA (0.45) PIK3CAPIK3CGPIK3CBNPC1RAB9A
SCHEMBL1617193 0.76 TYK2 (0.53) PIK3CAPIK3CGPIK3CBTYK2SYK
SCHEMBL427573 0.76 TYK2 (0.46) PIK3CAPIK3CGPIK3CBNPC1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US claimed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US claimed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 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-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 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-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US disclosed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 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
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 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 (5 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG PIK3CA 2810/4885PIK3CG 1280/4885PIK3CB 1142/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 PIK3CA 4463/4885PIK3CG 3944/4885PIK3CB 2892/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 PIK3CA 2128/4885PIK3CG 1703/4885PIK3CB 2321/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 PIK3CA 4463/4885PIK3CG 3944/4885PIK3CB 2892/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG PIK3CA 2810/4885PIK3CG 1280/4885PIK3CB 1142/4885

“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.