SCHEMBL254934

SCHEMBL254934

Nc1ncnc(N2CCOCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.56
PIK3CD O00329 3/20 0.56
PIK3CB P42338 3/20 0.56
PIK3R1 P27986 7/20 0.53
MTOR P42345 7/20 0.53
KDM4E B2RXH2 3/20 0.50
GAA P10253 3/20 0.50
RICTOR Q6R327 1/20 0.48
RPTOR Q8N122 1/20 0.48
MAPKAP1 Q9BPZ7 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
PKM P14618 1/20 0.48
PIK3C2B O00750 1/20 0.47
PIK3CG P48736 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
MAP3K12 Q12852 1/20 0.47
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL30165732 1.00 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3R1MTOR
SCHEMBL16238117 0.86 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3R1MTOR
SCHEMBL29582269 0.82 ALDH1A1 (0.41) PIK3CAPIK3CDPIK3CBKMT2AALDH1A1
SCHEMBL28220128 0.82 ALDH1A1 (0.41) PIK3CAPIK3CDPIK3CBKMT2AALDH1A1
SCHEMBL2524177 0.81 MAPK1 (0.58) PIK3CAPIK3CDPIK3CBPIK3R1MTOR
SCHEMBL28256286 0.81 ALDH1A1 (0.44) KDM4EGAAKMT2AALDH1A1GLA
Hydrochloric Acid SCHEMBL28169526 0.79 ALDH1A1 (0.43) KDM4EGAAKMT2AALDH1A1GLA
SCHEMBL2523906 0.79 MAPK1 (0.53) PIK3CAPIK3CDPIK3CBPIK3R1MTOR
SCHEMBL4316997 0.79 TSHR (0.59) PIK3CAPIK3CDPIK3CBPIK3R1MTOR
SCHEMBL1443593 0.78 PIK3CA (0.61) PIK3CAPIK3R1MTORKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110198717-A Immunization therapy medicine 国立研究开发法人国立癌症研究中心 2019-09-03 CN claimed
EP-2451802-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-05-16 EP claimed
CN-115819363-B Ketone amide compound and preparation method and application thereof 浙江工业大学 2025-04-01 CN disclosed
CN-115974879-B Preparation method of polysubstituted imidazo heterocyclic compound 浙江工业大学 2024-03-26 CN disclosed
CN-115974879-A Preparation method of polysubstituted imidazo heterocyclic compound 浙江工业大学 2023-04-18 CN disclosed
CN-115819363-A Ketone amide compound and preparation method and application thereof 浙江工业大学 2023-03-21 CN disclosed
CN-115745902-A Preparation method of N-triazine amide compound 浙江工业大学 2023-03-07 CN disclosed
WO-2023287453-A1 BIOCIDE BLEND FOR TREATING WELLBORES HALLIBURTON ENERGY SERVICES, INC. (US) 2023-01-19 WO disclosed
CN-113603694-B 1, 2-diketone compound and preparation method and application thereof 浙江工业大学 2022-07-22 CN disclosed
CN-113444095-B Triazine substituted imidazole compound and preparation method and application thereof 浙江工业大学 2022-05-24 CN disclosed
CN-113603694-A 1, 2-diketone compound and preparation method and application thereof 浙江工业大学 2021-11-05 CN disclosed
CN-107501241-A Compound, the pharmaceutical composition containing it and their purposes in proliferative disease is treated 梅制药公司 2017-12-22 CN disclosed
CN-103582636-B (alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3, 5-triazinylbenzimidazoles, pharmaceutical compositions containing them and the use of these compounds in the treatment of proliferative diseases 梅制药公司 2017-08-18 CN disclosed
EP-2588473-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
WO-2012003264-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS AMGEN INC. (US) 2012-01-05 WO disclosed
CN-1045103-A The oligomer ester and the oligoamide that contain the dipiperidino triazine group ICI AMERICA INC (US) 1990-09-05 CN disclosed
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP disclosed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP 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 (1 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-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CA 26/4885PIK3CD 25/4885PIK3CB 44/4885

“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.