SCHEMBL734276

SCHEMBL734276

CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)c2c(=O)n1-c1ccccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.59
PIK3CG P48736 11/20 0.55
PIK3CA P42336 10/20 0.55
PIK3CB P42338 10/20 0.55
PIK3R1 P27986 8/20 0.55
PIK3R2 O00459 1/20 0.53
ABCB11 O95342 1/20 0.53
HTR1A P08908 1/20 0.53
PTGS1 P23219 1/20 0.53
OPRM1 P35372 1/20 0.53
PRKDC P78527 1/20 0.53
SLC6A3 Q01959 1/20 0.53
PDE4D Q08499 1/20 0.53
PDE3A Q14432 1/20 0.53
PIK3C3 Q8NEB9 1/20 0.53
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47

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
SCHEMBL27743842 0.94 PIK3CD (0.61) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL356534 0.91 PIK3CD (0.66) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL16677806 0.90 PIK3CD (0.52) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL732735 0.90 PIK3CD (0.52) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL16677389 0.90 PIK3CD (0.52) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL754026 0.90 PIK3CD (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL356722 0.89 PIK3CD (0.66) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL734930 0.89 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL733879 0.89 PIK3CD (0.63) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL13116722 0.88 PIK3CD (0.63) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1

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 117 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
US-8492389-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2013-07-23 US claimed
US-20120172591-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2012-07-05 US claimed
US-8138195-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2012-03-20 US claimed
EP-1438052-B1 QUINAZOLIN-4-ONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORP (US) 2010-12-29 EP claimed
US-20100152211-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-06-17 US 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-2005117889-A1 METHODS FOR TREATING AND/OR PREVENTING ABERRANT PROLIFERATION OF HEMATOPOIETIC ICOS CORPORATION (US) 2005-12-15 WO claimed
WO-2005112935-A1 PHOSPHOINOSITIDE 3-KINASE DELTA SELECTIVE INHIBITORS FOR INHIBITING ANGIOGENESIS VANDERBILT UNIVERSITY (US) 2005-12-01 WO claimed
US-20050261317-A1 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2005-11-24 US 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
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
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-20100152211-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG PIK3CD 1/4885PIK3CG 3/4885PIK3CA 2/4885
US-20050054614-A1 Methods of inhibiting leukocyte accumulation PI4KB, PIK3CD, PIK3CA PIK3CD 2/4885PIK3CG 7/4885PIK3CA 3/4885
US-20140154772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG PIK3CD 1/4885PIK3CG 3/4885PIK3CA 2/4885
US-20020161014-A1 Purinyl substituted quinazoline-4-one derivatives PIK3CD, PIK3CA, PIK3CG PIK3CD 1/4885PIK3CG 3/4885PIK3CA 2/4885
US-20050261317-A1 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3R5, PIK3CA PIK3CD 1/4885PIK3CG 4/4885PIK3CA 3/4885
US-20040266780-A1 for example, 2-(6-aminopurin-9-ylmethyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3H-quinazolin-4-one PIK3CD, PIK3CA, PIK3CG PIK3CD 1/4885PIK3CG 3/4885PIK3CA 2/4885
US-20050043239-A1 Methods of inhibiting immune responses stimulated by an endogenous factor PI4KB, PI4KA, PIK3CD PIK3CD 3/4885PIK3CG 10/4885PIK3CA 12/4885
US-20120172591-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG PIK3CD 1/4885PIK3CG 3/4885PIK3CA 2/4885

“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.