SCHEMBL454719

SCHEMBL454719

COc1ncc(B(O)OC(C)(C)C(C)(C)O)cc1N

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
AURKA O14965 1/20 0.38
TTK P33981 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
PIK3CA P42336 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
SCHEMBL15663127 0.84 PIK3CA (0.32) PIK3CA
SCHEMBL16654863 0.83 PIK3CA (0.33) PIK3CA
SCHEMBL16733612 0.83 LMNA (0.33)
SCHEMBL27153849 0.82 MAPT (0.43) MAPTCASP1AURKATTKAURKB
SCHEMBL2067848 0.79 GAA (0.33)
SCHEMBL190709 0.77 NUDT1 (0.32)
SCHEMBL30788168 0.77 MAPT (0.49) MAPTCASP1AURKATTKAURKB
SCHEMBL356911 0.77 MAPT (0.49) MAPTCASP1AURKATTKAURKB
Boric Acid SCHEMBL27956737 0.76 MAPT (0.43) MAPTCASP1AURKATTKAURKB
SCHEMBL12614044 0.76 VRK1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118525011-A Morpholinyl quinazoline compound, preparation method and application thereof 上海璎黎药业有限公司 2024-08-20 CN disclosed
US-20240217947-A1 Morpholinylquinazoline Compound, Pharmaceutical compositions thereof and Use Thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2024-07-04 US disclosed
EP-2710018-B1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2021-12-29 EP disclosed
US-9808466-B2 Macrocyclic compounds as protein kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III 2017-11-07 US disclosed
US-9493478-B2 Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same YUHAN CORPORATION (KR) 2016-11-15 US disclosed
US-20160296528-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2016-10-13 US disclosed
US-9284334-B2 Macrocyclic compounds as protein kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2016-03-15 US disclosed
EP-2414369-B1 IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-08-12 EP disclosed
US-20150191478-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME YUHAN CORPORATION (KR) 2015-07-09 US disclosed
EP-2876109-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Yuhan Corporation (KR) 2015-05-27 EP disclosed
US-20140256717-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2014-09-11 US disclosed
US-8815918-B2 Imidazo [2, 1-B] [1, 3, 4] thiadiazole derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-08-26 US disclosed
EP-2710018-A2 NEW COMPOUNDS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2014-03-26 EP disclosed
WO-2012156756-A2 NEW COMPOUNDS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-11-22 WO disclosed
US-20120094996-A1 Imidazo [2, 1-B] [1, 3, 4] Thiadiazole Derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-19 US disclosed
WO-2011121317-A9 IMIDAZOTHIADIAZOLES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-03-15 WO disclosed
EP-2414369-A1 IMIDAZO [2, 1-B][ 1, 3, 4]THIADIAZOLE DERIVATIVES Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-02-08 EP disclosed
WO-2011121317-A1 IMIDAZO [2,1-B] [1,3,4] THIADIAZOLES AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-10-06 WO disclosed
WO-2010112874-A1 IMIDAZO [2, 1-B] [ 1, 3, 4 ] THIADIAZOLE DERIVATIVES CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2010-10-07 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 (5 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-20120094996-A1 Imidazo [2, 1-B] [1, 3, 4] Thiadiazole Derivatives PIK3CA, PI4KA, PIK3CD MAPT 4062/4885CASP1 1722/4885AURKA 365/4885
US-20240217947-A1 Morpholinylquinazoline Compound, Pharmaceutical compositions thereof and Use Thereof HDAC6, HDAC9, HDAC7 MAPT 1365/4885CASP1 704/4885AURKA 1230/4885
US-20150191478-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME PIK3CD, PIK3CA, MTOR MAPT 2650/4885CASP1 1881/4885AURKA 1781/4885
US-20140256717-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS PIM1, PIM3, PIM2 MAPT 3154/4885CASP1 2637/4885AURKA 195/4885
US-20160296528-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS PIM1, PIM3, PIM2 MAPT 3154/4885CASP1 2637/4885AURKA 195/4885

“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.