SCHEMBL733380

SCHEMBL733380

O=c1c2ccc([N+](=O)[O-])cc2nc(C(S)c2ncnc3[nH]cnc23)n1-c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
C1R P00736 3/20 0.40
MAPT P10636 2/20 0.38
RECQL P46063 2/20 0.37
POLB P06746 1/20 0.37
PIK3CG P48736 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
IDO2 Q6ZQW0 1/20 0.36
EGFR P00533 3/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PARP1 P09874 1/20 0.33

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
SCHEMBL732731 0.87 PIK3CG (0.40) RECQLPOLBPIK3CG
SCHEMBL735037 0.87 PIK3CG (0.47) ALDH1A1RECQLPOLBPIK3CGIDO1
SCHEMBL733416 0.86 PIK3CG (0.38) RECQLPOLBPIK3CG
SCHEMBL734484 0.85 PIK3CG (0.37) RECQLPOLBPIK3CG
SCHEMBL734505 0.84 PIK3CG (0.39) RECQLPOLBPIK3CGMEN1KMT2A
SCHEMBL734435 0.83 PIK3CG (0.39) ALDH1A1RECQLPOLBPIK3CG
SCHEMBL733445 0.83 NTSR1 (0.38) ALDH1A1RECQLPOLBPIK3CG
SCHEMBL734271 0.82 PIK3CG (0.38) RECQLPOLBPIK3CG
SCHEMBL732376 0.82 PIK3CD (0.47) PIK3CG
SCHEMBL732414 0.82 AURKA (0.41) ALDH1A1RECQLPOLBPIK3CGIDO1

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 107 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
JP-4642309-B2 2011-03-02 JP 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
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-6800620-B2 CONTACTING LEUKOCYTES, OSTEOCLASTS WITH AN ENZYME INHIBITORS, A 9H-PURIN-3H-QUINAZOLIN-4-ONE DERIVATIVES, TREATING BONE-RESORPTION DISORDER, ANTIPROLIFERATIVE AGENTS TREATING LEUKEMIA CELLS ICOS 2004-10-05 US claimed
EP-1438052-A1 INHIBITORS OF HUMAN PHOSPHATIDYL−INOSITOL 3−KINASE DELTA ICOS CORPORATION (US) 2004-07-21 EP claimed
JP-2003531209-A 2003-10-21 JP 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
EP-1278748-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2003-01-29 EP claimed
US-20020161014-A1 Purinyl substituted quinazoline-4-one derivatives ICOS CORPORATION, A DELAWARE CORPORATION 2002-10-31 US claimed
WO-2001081346-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2001-11-01 WO 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 (6 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-20140154772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885C1R 4251/4885MAPT 4668/4885
US-20020161014-A1 Purinyl substituted quinazoline-4-one derivatives PIK3CD, PIK3CA, PIK3CG ALDH1A1 4264/4885C1R 4599/4885MAPT 4869/4885
US-20060079538-A1 Methods for inhibiting angiogenesis FLT4, KDR, PDGFRB ALDH1A1 1256/4885C1R 4719/4885MAPT 4733/4885
US-20040266780-A1 for example, 2-(6-aminopurin-9-ylmethyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3H-quinazolin-4-one PIK3CD, PIK3CA, PIK3CG ALDH1A1 3454/4885C1R 4661/4885MAPT 4789/4885
US-20060106038-A1 Methods for treating and/or preventing aberrant proliferation of hematopoietic cells MCL1, NFATC1, MKI67 ALDH1A1 2462/4885C1R 4745/4885MAPT 4588/4885
US-20030195211-A1 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG ALDH1A1 4487/4885C1R 4182/4885MAPT 4745/4885

“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.