SCHEMBL500712

SCHEMBL500712

COc1ccc(-n2c(C(N)=O)nnc2-c2ccc(C(C)C)cc2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ALPG P10696 3/20 0.38
CDC25A P30304 2/20 0.38
CDC25B P30305 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ANXA2 P07355 1/20 0.37
S100A10 P60903 1/20 0.37
NPC1 O15118 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPK1 P28482 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL500741 0.86 ALPG (0.45) ALPGCDC25ACDC25BALDH1A1POLB
SCHEMBL500412 0.85 HSP90AA1 (0.50)
SCHEMBL501420 0.84 HSP90AA1 (0.42) ALPGCDC25ACDC25BALDH1A1MAPT
SCHEMBL501265 0.83 HSP90AA1 (0.46) ALPGCDC25ACDC25BALDH1A1MEN1
SCHEMBL500914 0.82 HSP90AA1 (0.41) ALPGCDC25ACDC25BALDH1A1NPC1
SCHEMBL500776 0.81 ALPG (0.40) ALPGCDC25ACDC25BALDH1A1MAPT
SCHEMBL501275 0.81 ALPG (0.44) ALPGCDC25ACDC25BALDH1A1NPC1
SCHEMBL501169 0.80 HSP90AA1 (0.42) ALPGCDC25ACDC25BALDH1A1MAPT
SCHEMBL501194 0.80 ALPG (0.43) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL1924364 0.78 MAPT (0.45) ALPGCDC25ACDC25BALDH1A1POLB

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 US claimed
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 US claimed
EP-2323737-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2011-05-25 EP claimed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 WO claimed
US-11541027-B2 Use of dianhydrogalactitol and analogs or derivatives thereof in combination with platinum-containing antineoplastic agents to treat non-small-cell carcinoma of the lung and brain metastases DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2023-01-03 US disclosed
CN-106659765-B Use of dianhydrogalactitol and analogs or derivatives thereof for treating non-small cell lung cancer and ovarian cancer 德玛医药 2021-08-13 CN disclosed
EP-3125920-B1 DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL OR DIBROMODULCITOL TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND OVARIAN CANCER DEL MAR PHARMACEUTICALS (CA) 2020-12-23 EP disclosed
US-20190269646-A9 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF IN COMBINATION WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND BRAIN METASTASES DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2019-09-05 US disclosed
US-20180140571-A1 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF IN COMBINATION WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND BRAIN METASTASES BACHA JEFFREY (CA) 2018-05-24 US disclosed
EP-3294284-A1 COMBINATION OF ANALOGS OR DERIVATIVES OF DIANHYDROGALACTITOL WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT CANCER Delmar Pharmaceuticals, Inc. (CA) 2018-03-21 EP disclosed
EP-3125920-A2 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND OVARIAN CANCER Del Mar Pharmaceuticals (CA) 2017-02-08 EP disclosed
US-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 US disclosed
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-04-26 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 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 (6 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-20190269646-A9 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF IN COMBINATION WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND BRAIN METASTASES DNMT1, MGMT, DCK ADRB2 4861/4885ADRB1 4852/4885ADRB3 4816/4885
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 ADRB2 3519/4885ADRB1 3241/4885ADRB3 2043/4885
US-20180140571-A1 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF IN COMBINATION WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND BRAIN METASTASES DNMT1, MGMT, DCK ADRB2 4861/4885ADRB1 4852/4885ADRB3 4816/4885
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 ADRB2 3519/4885ADRB1 3241/4885ADRB3 2043/4885
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 ADRB2 3519/4885ADRB1 3241/4885ADRB3 2043/4885
US-11541027-B2 Use of dianhydrogalactitol and analogs or derivatives thereof in combination with platinum-containing antineoplastic agents to treat non-small-cell carcinoma of the lung and brain metastases DNMT1, MGMT, DCK ADRB2 4861/4885ADRB1 4852/4885ADRB3 4816/4885

“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.