SCHEMBL2203480

SCHEMBL2203480

Cc1cc(Nc2cc(-c3ccccc3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 11/20 0.59
AURKA O14965 10/20 0.59
SRC P12931 2/20 0.55
GSK3B P49841 1/20 0.55
AURKC Q9UQB9 3/20 0.51
PLK4 O00444 2/20 0.51
BMPR1B O00238 1/20 0.51
STK25 O00506 1/20 0.51
RIOK3 O14730 1/20 0.51
CHEK1 O14757 1/20 0.51
GAK O14976 1/20 0.51
MUSK O15146 1/20 0.51
EPHB6 O15197 1/20 0.51
PDPK1 O15530 1/20 0.51
MAP3K13 O43283 1/20 0.51
DAPK3 O43293 1/20 0.51
MAP3K7 O43318 1/20 0.51
NUAK1 O60285 1/20 0.51
JAK2 O60674 1/20 0.51
ERN1 O75460 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
SCHEMBL2205038 0.88 AURKB (0.75) AURKBAURKASRCGSK3BAURKC
SCHEMBL2204846 0.88 AURKB (0.76) AURKBAURKASRCGSK3BABL1
SCHEMBL12430807 0.87 AURKB (0.79) AURKBAURKASRCGSK3BAURKC
SCHEMBL648099 0.87 AURKA (0.58) AURKBAURKASRCGSK3BAURKC
SCHEMBL2200635 0.86 AURKB (0.61) AURKBAURKASRCGSK3BAURKC
SCHEMBL13765973 0.86 AURKA (0.54) AURKBAURKASRCGSK3BAURKC
SCHEMBL2203979 0.84 AURKB (0.65) AURKBAURKASRCGSK3BAURKC
SCHEMBL2205873 0.84 AURKB (0.63) AURKBAURKASRCGSK3BAURKC
SCHEMBL62264 0.83 AURKA (0.55) AURKBAURKASRCGSK3BAURKC
SCHEMBL28553059 0.82 ADORA1 (0.45) AURKBAURKASRCGSK3BRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4210520-B2 2009-01-21 JP claimed
EP-1353916-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2006-09-20 EP claimed
EP-1702920-A1 Pyrazole compounds useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2006-09-20 EP claimed
US-20050038023-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2005-02-17 US claimed
JP-2004517894-A 2004-06-17 JP claimed
US-6664247-B2 Especially as inhibitors of Aurora-2 and GSK-3, for treating diseases such as cancer, diabetes and Alzheimer's disease. VERTEX PHARMACEUTICALS INCORPORATED 2003-12-16 US claimed
EP-1353916-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-10-22 EP claimed
US-20030036543-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-02-20 US claimed
WO-2002057259-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-07-25 WO claimed
US-20210379021-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS RACE ONCOLOGY LTD (AU) 2021-12-09 US disclosed
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-19 US disclosed
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-05 US disclosed
CN-113365610-A Methods of making and delivering bisantrene formulations 现代化制药公司 2021-09-07 CN disclosed
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
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-2015013581-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE UPDATE PHARMA INC. (US) 2015-01-29 WO disclosed
WO-2015013579-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE UPDATE PHARMA INC. (US) 2015-01-29 WO 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
EP-1702920-B1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA (US) 2011-10-12 EP disclosed
US-7982037-B2 (5-Methyl-2H-pyrazol-3-yl)-(2-phenylsulfanyl-quinazolin-4-yl)-amine; Anticancer agents; antidiabetic agents; Alzheimer's disease; inhibitors of Aurora-2 and GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-19 US 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-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 AURKB 1003/4885AURKA 1514/4885SRC 1586/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 AURKB 398/4885AURKA 767/4885SRC 1229/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 AURKB 206/4885AURKA 698/4885SRC 1261/4885
US-20210379021-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS CYP3A43, CYP1A1, UGT1A3 AURKB 1940/4885AURKA 1829/4885SRC 3197/4885
US-20030036543-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKB 4/4885AURKA 2/4885SRC 419/4885
US-20050038023-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, AURKC, AURKA AURKB 7/4885AURKA 3/4885SRC 303/4885

“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.