SCHEMBL2204846

SCHEMBL2204846

CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 17/20 0.76
AURKA O14965 13/20 0.64
SRC P12931 1/20 0.54
GSK3B P49841 1/20 0.54
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44

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
SCHEMBL2205873 0.91 AURKB (0.63) AURKBAURKASRCGSK3BKDM4E
SCHEMBL2203979 0.91 AURKB (0.65) AURKBAURKASRCGSK3BABL1
SCHEMBL2205038 0.90 AURKB (0.75) AURKBAURKASRCGSK3BKDM4E
SCHEMBL2205762 0.88 AURKB (0.69) AURKBAURKASRCGSK3BABL1
SCHEMBL2203480 0.88 AURKB (0.59) AURKBAURKASRCGSK3BABL1
SCHEMBL2200635 0.88 AURKB (0.61) AURKBAURKASRCGSK3BMEN1
SCHEMBL12430806 0.86 AURKB (1.00) AURKBAURKASRCGSK3BABL1
SCHEMBL2201749 0.86 AURKB (0.64) AURKBAURKASRCGSK3BABL1
SCHEMBL1078617 0.86 AURKB (0.64) AURKBAURKASRCGSK3BABL1
SCHEMBL2203017 0.85 AURKB (0.55) AURKBAURKASRCGSK3BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20030036543-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-02-20 US 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-3860575-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS Race Oncology Ltd. (AU) 2021-08-11 EP disclosed
CN-112472699-A Combination methods for improving the therapeutic benefit of bisantrene and derivatives 种族肿瘤学公司 2021-03-12 CN disclosed
EP-1345925-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-09-24 EP disclosed
US-20030105090-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-06-05 US disclosed
US-20030078275-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 US disclosed
US-20030055068-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 US disclosed
US-20030036543-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-02-20 US disclosed
US-20030004161-A1 Pyrazole compounds useful as protein kinase inhititors VERTEX PHARMACEUTICALS INCORPORATED 2003-01-02 US disclosed
WO-2002057259-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-07-25 WO disclosed
WO-2002050065-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-06-27 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 (10 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-20030004161-A1 Pyrazole compounds useful as protein kinase inhititors AURKC, AURKA, GSKIP AURKB 6/4885AURKA 2/4885SRC 732/4885
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-20030055068-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKB 6/4885AURKA 2/4885SRC 643/4885
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-20030078275-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKB 6/4885AURKA 2/4885SRC 499/4885
US-20030105090-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, GSK3B, AURKA AURKB 6/4885AURKA 3/4885SRC 378/4885
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.