SCHEMBL735169

SCHEMBL735169

Cc1cccc2nc(C(S)c3ncnc4[nH]cnc34)n(CCc3ccccc3)c(=O)c12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.47
PIK3CD O00329 10/20 0.44
PIK3R1 P27986 6/20 0.41
PIK3CB P42338 4/20 0.41
PIK3CG P48736 4/20 0.41
PIK3CA P42336 3/20 0.41
PIK3R2 O00459 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RGS12 O14924 1/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
ADORA2B P29275 4/20 0.38
ADORA3 P0DMS8 2/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL735491 0.90 CASR (0.46) CASRPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL735283 0.86 PIK3CD (0.44) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL734676 0.84 PIK3CD (0.43) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL733351 0.81 PIK3CD (0.38) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL734520 0.81 PIK3CD (0.46) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL732814 0.81 PIK3CD (0.42) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL733237 0.79 PIK3CG (0.51) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL733233 0.79 PIK3CD (0.47) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL6757116 0.79 PIK3CG (0.40) CASRPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL735150 0.79 PIK3CD (0.48) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA

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 100 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-6949535-B2 for example, 2-(6-aminopurin-9-ylmethyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3H-quinazolin-4-one ICOS CORPORATION (US) 2005-09-27 US claimed
WO-2005067901-A2 METHODS FOR TREATING AND PREVENTING HYPERTENSION AND HYPERTENSION-RELATED DISORDERS MICHIGAN STATE UNIVERSITY (US) 2005-07-28 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-2005016348-A1 METHOD OF INHIBITING IMMUNE RESPONSES STIMULATED BY AN ENDOGENOUS FACTOR ICOS CORPORATION (US) 2005-02-24 WO claimed
WO-2005016349-A1 METHODS OF INHIBITING LEUKOCYTE ACCUMULATION 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
US-20030195211-A1 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION 2003-10-16 US 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 CASR 3654/4885PIK3CD 2/4885PIK3R1 14/4885
US-20020161014-A1 Purinyl substituted quinazoline-4-one derivatives PIK3CD, PIK3CA, PIK3CG CASR 4553/4885PIK3CD 1/4885PIK3R1 18/4885
US-20060079538-A1 Methods for inhibiting angiogenesis FLT4, KDR, PDGFRB CASR 3452/4885PIK3CD 6/4885PIK3R1 22/4885
US-20040266780-A1 for example, 2-(6-aminopurin-9-ylmethyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3H-quinazolin-4-one PIK3CD, PIK3CA, PIK3CG CASR 4639/4885PIK3CD 1/4885PIK3R1 7/4885
US-20050043239-A1 Methods of inhibiting immune responses stimulated by an endogenous factor PI4KB, PI4KA, PIK3CD CASR 1372/4885PIK3CD 3/4885PIK3R1 46/4885
US-20060106038-A1 Methods for treating and/or preventing aberrant proliferation of hematopoietic cells MCL1, NFATC1, MKI67 CASR 2656/4885PIK3CD 25/4885PIK3R1 84/4885
US-20030195211-A1 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG CASR 4374/4885PIK3CD 1/4885PIK3R1 12/4885

“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.