SCHEMBL482069

SCHEMBL482069

CCOC(=O)CC(C[N+](=O)[O-])c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
LMNA P02545 5/20 0.46
KDM4E B2RXH2 3/20 0.46
F2 P00734 3/20 0.43
F10 P00742 2/20 0.43
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.39
APAF1 O14727 1/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
CYP2C19 P33261 2/20 0.36
PTGS2 P35354 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL20475361 0.86 MAPT (0.46) MAPTLMNAKDM4EF2F10
SCHEMBL657923 0.86 MAPT (0.46) MAPTLMNAKDM4EF2F10
SCHEMBL1269176 0.86 MAPT (0.46) MAPTLMNAKDM4EF2F10
SCHEMBL9294262 0.86 F2 (0.50) MAPTLMNAKDM4EF2F10
SCHEMBL6264598 0.85 F2 (0.50) MAPTLMNAKDM4EF2F10
SCHEMBL31115525 0.85 F2 (0.47) MAPTLMNAKDM4EF2F10
SCHEMBL1269160 0.85 ALOX15 (0.46) MAPTLMNAKDM4EF2F10
SCHEMBL21609309 0.85 F10 (0.43) MAPTLMNAKDM4EF2F10
SCHEMBL30947795 0.85 F10 (0.43) MAPTLMNAKDM4EF2F10
SCHEMBL9706451 0.84 MAPT (0.44) MAPTLMNAKDM4EF2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
CN-105693730-A Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors 西格诺药品有限公司 2016-06-22 CN disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
CN-101573360-A Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2009-11-04 CN disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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 (2 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA MAPT 3460/4885LMNA 1396/4885KDM4E 2244/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 MAPT 3782/4885LMNA 1237/4885KDM4E 2113/4885

“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.