SCHEMBL466348

SCHEMBL466348

CC1(C)OB(c2ccnc(N)n2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.37
HRH4 Q9H3N8 2/20 0.34
AURKA O14965 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PRKACA P17612 1/20 0.34
ADORA2A P29274 1/20 0.34
HRH3 Q9Y5N1 5/20 0.34
LPL P06858 5/20 0.33
LIPG Q9Y5X9 5/20 0.33
P2RX7 Q99572 1/20 0.33
CDK4 P11802 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
TLR8 Q9NR97 1/20 0.33
GRM4 Q14833 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL25984165 0.79 LPL (0.36) LPLLIPGP2RX7
SCHEMBL16740533 0.76 SNCA (0.36) LPLLIPGP2RX7CA1CA2
SCHEMBL16097750 0.75 ASIC3 (0.34) LPLLIPGP2RX7CA1CA2
SCHEMBL16740503 0.75 MALT1 (0.36) LPLLIPGP2RX7
SCHEMBL1458765 0.74 HSP90AA1 (0.50) AURKAHSP90AA1PRKACAADORA2ALPL
SCHEMBL29731779 0.73 LPL (0.47) LPLLIPG
SCHEMBL710355 0.73 LPL (0.42) LPLLIPGP2RX7CA1CA2
SCHEMBL24150109 0.71 LPL (0.33) LPLLIPGP2RX7CA1CA2
SCHEMBL30379844 0.71 LPL (0.33) LPLLIPGP2RX7CA1CA2
SCHEMBL856951 0.71 DHFR (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023135564-A1 1,3-BENZODIOXOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 동화약품주식회사 2023-07-20 WO disclosed
US-20220348593-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2022-11-03 US disclosed
WO-2022208382-A1 NOVEL DIALKOXYNAPHTHO[2,3-C]FURAN-1(3H)-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESPIRATORY DISEASE OR SARS-COV-2 INFECTION DISEASE, COMPRISING SAME 동화약품주식회사 2022-10-06 WO disclosed
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
US-20150232452-A1 NOVEL RAF KINASE INHIBITORS RUGA CORPORATION (US) 2015-08-20 US disclosed
US-20150232452-A1 NOVEL RAF KINASE INHIBITORS RUGA CORPORATION (US) 2015-08-20 US disclosed
EP-2646020-A1 INDOLES GlaxoSmithKline LLC (US) 2013-10-09 EP disclosed
US-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 US disclosed
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 WO disclosed
WO-2010105008-A2 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF HEMATOPOIETIC MALIGNANCIES GENENTECH, INC. (US) 2010-09-16 WO disclosed
EP-2207781-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2010-07-21 EP disclosed
EP-2114949-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2009-11-11 EP disclosed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
EP-2099447-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS Incyte Corporation (US) 2009-09-16 EP disclosed
WO-2009042607-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-04-02 WO disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed
WO-2008070740-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed
WO-2008064157-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-05-29 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 (3 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-20220348593-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MTOR NUDT1 3614/4885HRH4 3180/4885AURKA 330/4885
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA NUDT1 2566/4885HRH4 2507/4885AURKA 692/4885
US-20150232452-A1 NOVEL RAF KINASE INHIBITORS BRAF, RAF1, ARAF NUDT1 2286/4885HRH4 3178/4885AURKA 747/4885

“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.