SCHEMBL732814

SCHEMBL732814

COc1cccc2nc(C(S)c3ncnc4[nH]cnc34)n(Cc3ccccc3)c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.42
TDP1 Q9NUW8 1/20 0.40
P2RX7 Q99572 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
EGFR P00533 1/20 0.37
PIK3CG P48736 9/20 0.36
PIK3CB P42338 8/20 0.36
PIK3R1 P27986 7/20 0.36
PIK3CA P42336 7/20 0.36
TSHR P16473 1/20 0.35
PDE4D Q08499 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PIK3R2 O00459 1/20 0.35
ABCB11 O95342 1/20 0.35
HTR1A P08908 1/20 0.35
PTGS1 P23219 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL734520 0.87 PIK3CD (0.46) PIK3CDHDAC1HDAC6PIK3CGPIK3CB
SCHEMBL734969 0.85 RAB9A (0.47) PIK3CDTSHRPDE4DPDE4APDE4B
SCHEMBL5607199 0.84 PIK3CD (0.35) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL735272 0.83 PIK3CD (0.45) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL735169 0.81 CASR (0.47) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL732766 0.79 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL733351 0.79 PIK3CD (0.38) PIK3CDHDAC1HDAC6PIK3CGPIK3CB
SCHEMBL734097 0.78 PIK3CG (0.51) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL732815 0.78 PIK3CG (0.51) PIK3CDTDP1EGFRPIK3CGPIK3CB
SCHEMBL735268 0.78 L3MBTL1 (0.47) PIK3CDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140154772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2014-06-05 US claimed
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
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 (8 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 2/4885TDP1 1209/4885P2RX7 1896/4885
US-20140154772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG PIK3CD 1/4885TDP1 2036/4885P2RX7 1413/4885
US-20020161014-A1 Purinyl substituted quinazoline-4-one derivatives PIK3CD, PIK3CA, PIK3CG PIK3CD 1/4885TDP1 1411/4885P2RX7 123/4885
US-20060079538-A1 Methods for inhibiting angiogenesis FLT4, KDR, PDGFRB PIK3CD 6/4885TDP1 3777/4885P2RX7 3441/4885
US-20040266780-A1 for example, 2-(6-aminopurin-9-ylmethyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3H-quinazolin-4-one PIK3CD, PIK3CA, PIK3CG PIK3CD 1/4885TDP1 1561/4885P2RX7 756/4885
US-20050043239-A1 Methods of inhibiting immune responses stimulated by an endogenous factor PI4KB, PI4KA, PIK3CD PIK3CD 3/4885TDP1 3962/4885P2RX7 1414/4885
US-20060106038-A1 Methods for treating and/or preventing aberrant proliferation of hematopoietic cells MCL1, NFATC1, MKI67 PIK3CD 25/4885TDP1 3229/4885P2RX7 3266/4885
US-20030195211-A1 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG PIK3CD 1/4885TDP1 1772/4885P2RX7 1568/4885

“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.