SCHEMBL4479017

SCHEMBL4479017

CCN(CC)CCOc1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)cnc3[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.52
ACHE P22303 2/20 0.51
CHEK1 O14757 2/20 0.49
KDR P35968 2/20 0.49
MAP4K4 O95819 1/20 0.49
LCK P06239 1/20 0.49
CSF1R P07333 1/20 0.49
PIM1 P11309 1/20 0.49
PHKG2 P15735 1/20 0.49
MARK3 P27448 1/20 0.49
FLT3 P36888 1/20 0.49
CLK2 P49760 1/20 0.49
GSK3A P49840 1/20 0.49
ITK Q08881 1/20 0.49
MAP4K2 Q12851 1/20 0.49
DYRK1A Q13627 1/20 0.49
MARK2 Q7KZI7 1/20 0.49
PIM3 Q86V86 1/20 0.49
MINK1 Q8N4C8 1/20 0.49
AURKB Q96GD4 1/20 0.49

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
SCHEMBL4475103 0.89 NR2E3 (0.51) KDRNR2E3ABL1
SCHEMBL2980707 0.83 HDAC6 (0.53) HDAC6ACHECHEK1KDRMAP4K4
SCHEMBL4472721 0.82 NR2E3 (0.59) KDRNR2E3
SCHEMBL4476257 0.80 NR2E3 (0.52) HDAC6KDRNR2E3
SCHEMBL4473673 0.80 NR2E3 (0.54) KDRNR2E3
SCHEMBL4479479 0.79 NR2E3 (0.53) KDRNR2E3
SCHEMBL4477969 0.79 NR2E3 (0.55) KDRNR2E3
SCHEMBL4465258 0.78 NR2E3 (0.47) KDRNR2E3ABL1
SCHEMBL4483144 0.77 NR2E3 (0.52) KDRNR2E3
SCHEMBL4473723 0.77 KMT2A (0.57) KDRNR2E3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618964-B2 Benzamide derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-11-17 US claimed
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2008-02-14 US claimed
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2021-08-19 US disclosed
CN-112755193-A Method of treating malignancies with anti-tyrosine kinase inhibitors using dianhydrogalactitol or a derivative thereof 德玛医药 2021-05-07 CN disclosed
EP-2872161-B1 DIANHYDROGALACTITOL FOR USE IN TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS DEL MAR PHARMACEUTICALS (CA) 2020-12-16 EP disclosed
US-20150182490-A1 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2015-07-02 US disclosed
EP-2872161-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF Del Mar Pharmaceuticals (CA) 2015-05-20 EP disclosed
WO-2014004376-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF DEL MAR PHARMACEUTICALS (CA) 2014-01-03 WO disclosed
US-7618964-B2 Benzamide derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-11-17 US disclosed
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2008-02-14 US disclosed
EP-1833829-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2007-09-19 EP disclosed
WO-2006066913-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 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-20150182490-A1 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF WHR1, AIPL1, TDP1 HDAC6 1675/4885ACHE 4858/4885CHEK1 208/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 HDAC6 1572/4885ACHE 4865/4885CHEK1 200/4885
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents TMBIM6, BAK1, CYP3A5 HDAC6 96/4885ACHE 291/4885CHEK1 1787/4885

“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.