SCHEMBL2206473

SCHEMBL2206473

Cc1cc(Nc2cc(-c3ccccc3C)nc(Sc3ccc4ccccc4c3)n2)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.43
AURKB Q96GD4 7/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
DHFR P00374 2/20 0.36
TYMS P04818 2/20 0.35
LMNA P02545 1/20 0.34
GSK3B P49841 3/20 0.34
SRC P12931 1/20 0.34
AGPAT2 O15120 1/20 0.34
NTRK1 P04629 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2205609 0.91 AURKA (0.44) AURKAAURKBSMN1; SMN2DHFRTYMS
SCHEMBL2204620 0.87 AURKA (0.51) AURKAAURKBDHFRTYMSLMNA
SCHEMBL12430802 0.84 AURKA (0.59) AURKAAURKBGSK3BSRCNTRK1
SCHEMBL2201971 0.84 AURKB (0.60) AURKAAURKBGSK3BSRC
SCHEMBL7147496 0.75 AURKB (0.59) AURKAAURKBNPC1RAB9AGSK3B
SCHEMBL2205512 0.75 AURKA (0.43) AURKAAURKBSMN1; SMN2DHFRTYMS
SCHEMBL12430801 0.74 AURKA (0.60) AURKAAURKBGSK3BSRCNTRK1
SCHEMBL2205392 0.73 AURKA (0.70) AURKAAURKBGSK3BSRC
SCHEMBL12102920 0.73 AURKA (0.50) AURKAAURKBSMN1; SMN2NPC1RAB9A
SCHEMBL2201374 0.72 AURKB (0.44) AURKAAURKBSMN1; SMN2LMNAGSK3B

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-2015013579-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE UPDATE PHARMA INC. (US) 2015-01-29 WO disclosed
WO-2015013581-A1 COMBINATORIAL METHODS 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 AURKA 1514/4885AURKB 1003/4885SMN1; SMN2 3557/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 AURKA 767/4885AURKB 398/4885SMN1; SMN2 1561/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 AURKA 698/4885AURKB 206/4885SMN1; SMN2 1840/4885
US-20210379021-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS CYP3A43, CYP1A1, UGT1A3 AURKA 1829/4885AURKB 1940/4885SMN1; SMN2 3212/4885
US-20030036543-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKA 2/4885AURKB 4/4885SMN1; SMN2 4257/4885
US-20050038023-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, AURKC, AURKA AURKA 3/4885AURKB 7/4885SMN1; SMN2 3993/4885

“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.