SCHEMBL2062011

SCHEMBL2062011

COc1ccc([N+](=O)[O-])c(N2CCOCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.63
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
LMNA P02545 4/20 0.56
CYP2C9 P11712 3/20 0.56
HPGD P15428 3/20 0.55
MAPK1 P28482 2/20 0.55
HTT P42858 1/20 0.55
PAX8 Q06710 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CTSB P07858 1/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
PRKDC P78527 2/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL12643176 0.89 MAPT (0.74) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL9515788 0.87 MAPT (0.63) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL5098517 0.86 ALDH1A1 (0.62) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL6377084 0.85 LMNA (0.58) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL26086358 0.85 MAPT (0.53) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL30396635 0.85 MAPT (0.53) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL22471070 0.84 ALDH1A1 (0.61) MAPTALDH1A1SMN1; SMN2LMNACYP2C9
SCHEMBL22471135 0.83 MAPT (0.60) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL22470988 0.83 MAPT (0.50) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL19030353 0.81 MAPT (0.59) MAPTALDH1A1SMN1; SMN2NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315742-B Process for preparing aminopyrimidine derivatives 株式会社 柳韩洋行 2023-09-01 CN disclosed
WO-2022199589-A1 PYRIMIDINE DERIVATIVES 南京明德新药研发有限公司 2022-09-29 WO disclosed
US-20220041569-A1 (3aS,4aR,5S,7aS,9R,9aR)-2,2,5,8,8,9a-hexamethyloctahydro-4H-4a,9-methanoazuleno[5,6-d][1,3]dioxole GIVAUDAN S.A. (CH) 2022-02-10 US disclosed
CN-111356687-B Pyrimidine-containing tri-substituted imidazole compound and application thereof 广州必贝特医药技术有限公司 2021-03-30 CN disclosed
WO-2020192302-A1 PYRIMIDINE-CONTAINING TRI-SUBSTITUTED IMIDAZOLE COMPOUND AND APPLICATION THEREOF 广州必贝特医药技术有限公司 2020-10-01 WO disclosed
CN-111356687-A Pyrimidine-containing tri-substituted imidazole compound and application thereof 广州必贝特医药技术有限公司 2020-06-30 CN disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
US-4749648-A Agent for the determination of esterolytic and/or proteolytic enzymes BOEHRINGER MANNHEIM GMBH (DE) 1988-06-07 US disclosed
EP-0039880-B2 AGENTS FOR THE DETECTION OF ESTEROLYTIC AND/OR PROTEOLYTIC ENZYMES; AND PHENOXY-AMINO ACIDS AND PHENOXY-PEPTIDE ESTERS SUITABLE AS SUBSTRATES THEREFOR, PROCESS FOR THEIR PRODUCTION AND THEIR USE IN PRODUCING THE AGENTS Roche Diagnostics GmbH (DE) 1987-06-03 EP disclosed
US-4551428-A COLORIMETRIC ANALYSIS USING DIAZONIUM COUPLERS BOEHRINGER MANNHEIM GMBH (DE) 1985-11-05 US disclosed
EP-0039880-B1 AGENTS FOR THE DETECTION OF ESTEROLYTIC AND/OR PROTEOLYTIC ENZYMES; AND PHENOXY-AMINO ACIDS AND PHENOXY-PEPTIDE ESTERS SUITABLE AS SUBSTRATES THEREFOR, PROCESS FOR THEIR PRODUCTION AND THEIR USE IN PRODUCING THE AGENTS Roche Diagnostics GmbH (DE) 1983-06-29 EP disclosed
EP-0039880-A1 Agents for the detection of esterolytic and/or proteolytic enzymes; and phenoxy-amino acids and phenoxy-peptide esters suitable as substrates therefor, process for their production and their use in producing the agents Roche Diagnostics GmbH (DE) 1981-11-18 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 (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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET MAPT 3881/4885ALDH1A1 77/4885SMN1; SMN2 2836/4885
US-20220041569-A1 (3aS,4aR,5S,7aS,9R,9aR)-2,2,5,8,8,9a-hexamethyloctahydro-4H-4a,9-methanoazuleno[5,6-d][1,3]dioxole DHRS9, MSMO1, CYP4X1 MAPT 3264/4885ALDH1A1 669/4885SMN1; SMN2 2451/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET MAPT 3881/4885ALDH1A1 77/4885SMN1; SMN2 2836/4885

“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.