SCHEMBL462679

SCHEMBL462679

CCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.47
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PDGFRB P09619 3/20 0.37
KDR P35968 3/20 0.37
ALPL P05186 1/20 0.36
LPL P06858 6/20 0.36
LIPG Q9Y5X9 6/20 0.36
DGAT1 O75907 2/20 0.36
FFAR1 O14842 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
F11 P03951 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL29537518 0.85 ALPL (0.45) AAK1GSK3AGSK3BPDGFRBKDR
SCHEMBL110292 0.85 ALPL (0.45) AAK1GSK3AGSK3BPDGFRBKDR
SCHEMBL6934738 0.82 AAK1 (0.50) AAK1GSK3AGSK3BPDGFRBKDR
SCHEMBL27314904 0.82 AAK1 (0.45) AAK1GSK3AGSK3BPDGFRBKDR
SCHEMBL30864874 0.82 AAK1 (0.45) AAK1GSK3AGSK3BPDGFRBKDR
SCHEMBL13975916 0.81 AAK1 (0.46) AAK1GSK3AGSK3BPDGFRBKDR
SCHEMBL613434 0.81 AAK1 (0.46) AAK1GSK3AGSK3BPDGFRBKDR
SCHEMBL15882429 0.79 PDGFRB (0.42) AAK1GSK3AGSK3BPDGFRBKDR
SCHEMBL2389323 0.79 AAK1 (0.47) AAK1GSK3AGSK3BPDGFRBKDR
SCHEMBL16754644 0.79 AAK1 (0.42) AAK1GSK3AGSK3BALPLLPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317660-A1 Quinazolinone Compound and Application Thereof Luoxin Healthcare Science and Technology Development (Beijing) Ltd. (CN) 2020-10-08 US disclosed
EP-3712143-A1 QUINAZOLINONE COMPOUND AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2020-09-23 EP disclosed
EP-2614058-A1 POLYMORPHS AND SALTS OF N- [5- [4- (5- { [(2R,6S) -2, 6 - DIMETHYL - 4 -MORPHOLINYL]METHYL} - 1, 3 - OXAZOL - 2 - YL) - 1H- INDA ZOL-6-YL]-2- (METHYLOXY) - 3 - PYRIDINYL]METHANESULFONAMIDE GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
EP-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
WO-2012032067-A1 POLYMORPHS AND SALTS OF N- [5- [4- (5- { [(2R,6S) -2, 6 - DIMETHYL - 4 -MORPHOLINYL] METHYL} - 1, 3 - OXAZOL - 2 - YL) - 1H- INDA ZOL-6-YL] -2- (METHYLOXY) - 3 - PYRIDINYL] METHANESULFONAMIDE GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 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 (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-20200317660-A1 Quinazolinone Compound and Application Thereof PIK3CD, PIK3CA, PIK3R5 AAK1 858/4885GSK3A 7/4885GSK3B 9/4885

“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.