SCHEMBL733351

SCHEMBL733351

Cc1cccc2nc(C(S)c3ncnc4[nH]cnc34)n(Cc3ccc([N+](=O)[O-])cc3)c(=O)c12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
DHFR P00374 1/20 0.36
TYMS P04818 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PIK3CG P48736 2/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3R2 O00459 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MDM2 Q00987 2/20 0.34
CFTR P13569 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL735283 0.83 PIK3CD (0.44) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL735169 0.81 CASR (0.47) PIK3CDMEN1KMT2APIK3CGPIK3R1
SCHEMBL734676 0.80 PIK3CD (0.43) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL733352 0.80 PIK3CG (0.48) PIK3CG
SCHEMBL734520 0.80 PIK3CD (0.46) PIK3CDHDAC1HDAC6PIK3CGPIK3R1
SCHEMBL732814 0.79 PIK3CD (0.42) PIK3CDHDAC1HDAC6PIK3CGPIK3R1
SCHEMBL734969 0.77 RAB9A (0.47) PIK3CDMEN1KMT2AL3MBTL1LMNA
SCHEMBL733438 0.77 PIK3CD (0.46) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL3331165 0.77 PIK3CD (0.41) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL733237 0.76 PIK3CG (0.51) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278748-B1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORP (US) 2011-03-23 EP claimed
EP-1885356-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2008-02-13 EP claimed
EP-1755609-A1 METHODS FOR TREATING AND/OR PREVENTING ABERRANT PROLIFERATION OF HEMATOPOIETIC CELLS ICOS CORPORATION (US) 2007-02-28 EP claimed
EP-1750715-A1 METHODS FOR TREATING MAST CELL DISORDERS ICOS CORPORATION (US) 2007-02-14 EP claimed
EP-1750714-A1 PHOSPHOINOSITIDE 3-KINASE DELTA SELECTIVE INHIBITORS FOR INHIBITING ANGIOGENESIS VANDERBILT UNIVERSITY (US) 2007-02-14 EP claimed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO claimed
US-20060106038-A1 Methods for treating and/or preventing aberrant proliferation of hematopoietic cells ICOS CORPORATION (US) 2006-05-18 US claimed
US-20060079538-A1 Methods for inhibiting angiogenesis VANDERBILT UNIVERSITY 2006-04-13 US claimed
WO-2005120511-A1 METHODS FOR TREATING MAST CELL DISORDERS ICOS CORPORATION (US) 2005-12-22 WO claimed
WO-2005117889-A1 METHODS FOR TREATING AND/OR PREVENTING ABERRANT PROLIFERATION OF HEMATOPOIETIC ICOS CORPORATION (US) 2005-12-15 WO claimed
US-20050054614-A1 Methods of inhibiting leukocyte accumulation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-03-10 US claimed
US-20050043239-A1 Methods of inhibiting immune responses stimulated by an endogenous factor ICOS CORPORATION 2005-02-24 US claimed
WO-2005016349-A1 METHODS OF INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2005-02-24 WO claimed
WO-2005016348-A1 METHOD OF INHIBITING IMMUNE RESPONSES STIMULATED BY AN ENDOGENOUS FACTOR ICOS CORPORATION (US) 2005-02-24 WO claimed
US-20040266780-A1 for example, 2-(6-aminopurin-9-ylmethyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3H-quinazolin-4-one ICOS CORPORATION 2004-12-30 US claimed
EP-1438052-A1 INHIBITORS OF HUMAN PHOSPHATIDYL−INOSITOL 3−KINASE DELTA ICOS CORPORATION (US) 2004-07-21 EP claimed
US-20030195211-A1 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION 2003-10-16 US claimed
WO-2003035075-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2003-05-01 WO claimed
US-6518277-B1 Disrupting leukocyte function ICOS CORPORATION 2003-02-11 US claimed
US-20020161014-A1 Purinyl substituted quinazoline-4-one derivatives ICOS CORPORATION, A DELAWARE CORPORATION 2002-10-31 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20050054614-A1 Methods of inhibiting leukocyte accumulation PI4KB, PIK3CD, PIK3CA PIK3CD 2/4885MEN1 4728/4885KMT2A 3634/4885
US-20020161014-A1 Purinyl substituted quinazoline-4-one derivatives PIK3CD, PIK3CA, PIK3CG PIK3CD 1/4885MEN1 3598/4885KMT2A 3696/4885
US-20060079538-A1 Methods for inhibiting angiogenesis FLT4, KDR, PDGFRB PIK3CD 6/4885MEN1 4714/4885KMT2A 3909/4885
US-20040266780-A1 for example, 2-(6-aminopurin-9-ylmethyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3H-quinazolin-4-one PIK3CD, PIK3CA, PIK3CG PIK3CD 1/4885MEN1 4026/4885KMT2A 2894/4885
US-20050043239-A1 Methods of inhibiting immune responses stimulated by an endogenous factor PI4KB, PI4KA, PIK3CD PIK3CD 3/4885MEN1 3822/4885KMT2A 2062/4885
US-20060106038-A1 Methods for treating and/or preventing aberrant proliferation of hematopoietic cells MCL1, NFATC1, MKI67 PIK3CD 25/4885MEN1 2946/4885KMT2A 1295/4885
US-20030195211-A1 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG PIK3CD 1/4885MEN1 3733/4885KMT2A 3279/4885

“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.