SCHEMBL790824

SCHEMBL790824

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.56
PIK3CG P48736 4/20 0.54
PIK3CA P42336 8/20 0.52
PIK3CD O00329 6/20 0.52
PIK3CB P42338 2/20 0.52
PIK3R1 P27986 1/20 0.52
MTOR P42345 3/20 0.48
CCR4 P51679 1/20 0.44
PI4KA P42356 2/20 0.44
SLC40A1 Q9NP59 1/20 0.42
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL29556839 1.00 ALPL (0.56) ALPLPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL791102 0.91 ALPL (0.52) ALPLPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL29556249 0.91 ALPL (0.52) ALPLPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL15459550 0.90 ALPL (0.51) ALPLPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL28554047 0.90 ALPL (0.51) ALPLPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL15462778 0.90 ALPL (0.51) ALPLPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL789981 0.89 ALPL (0.48) ALPLPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL15650005 0.89 ALPL (0.50) ALPLPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL22508714 0.89 ALPL (0.50) ALPLPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL15559069 0.89 ALPL (0.52) ALPLPIK3CGPIK3CAPIK3CDPIK3CB

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112794851-B 3- (pyridine-3-yl) -7-azaindole derivative PI3K delta inhibitor and preparation method and application thereof 复旦大学 2022-08-23 CN disclosed
CN-112724134-B Azaindazole bipyridine derivative myeloid cell proliferation inhibitor, preparation method and application thereof in pharmacy 复旦大学 2022-04-01 CN disclosed
CN-113214247-A Azaindole derivative marrow cell proliferation inhibitor, preparation method and application thereof in pharmacy 复旦大学 2021-08-06 CN disclosed
CN-112794851-A 3- (pyridine-3-yl) -7-azaindole derivative PI3K delta inhibitor and preparation method and application thereof 复旦大学 2021-05-14 CN disclosed
CN-112724134-A Azaindazole bipyridine derivative myeloid cell proliferation inhibitor, preparation method and application thereof in pharmacy 复旦大学 2021-04-30 CN disclosed
EP-3053926-B1 FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF SHANGHAI YINGLI PHARM CO LTD (CN) 2018-08-08 EP disclosed
US-9745321-B2 Fused pyrimidine compound, intermediate, preparation method therefor, and composition and application thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2017-08-29 US disclosed
US-9745321-B2 Fused pyrimidine compound, intermediate, preparation method therefor, and composition and application thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2017-08-29 US disclosed
US-20160214994-A1 FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2016-07-28 US disclosed
US-20160214994-A1 FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2016-07-28 US disclosed
WO-2015120737-A1 SUBSTITUTED PYRIDOPYRIMIDINE COMPOUNDS, PREPARATION METHODS THEREFOR AND USES THEREOF 北大方正集团有限公司 2015-08-20 WO disclosed
WO-2014022128-A1 PI3 KINASE MODULATORS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2014-02-06 WO disclosed
US-20140038991-A1 Protein Kinase Inhibitors ASTAR BIOTECH LLC (US) 2014-02-06 US disclosed
US-20140038991-A1 Protein Kinase Inhibitors ASTAR BIOTECH LLC (US) 2014-02-06 US disclosed
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed

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

For each of this compound's patents that has machine-readable text (2 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-20160214994-A1 FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF PIK3CA, WEE1, TKFC ALPL 1128/4885PIK3CG 8/4885PIK3CA 1/4885
US-20140038991-A1 Protein Kinase Inhibitors MAP3K1, MAP3K5, MAP3K7 ALPL 2923/4885PIK3CG 450/4885PIK3CA 271/4885

“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.