SCHEMBL2169233

SCHEMBL2169233

CCN(CC)C(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.77
CDK1 P06493 16/20 0.77
CCNB1 P14635 15/20 0.77
AURKA O14965 1/20 0.77
CCNT1 O60563 1/20 0.77
CDK4 P11802 1/20 0.77
EIF2AK2 P19525 1/20 0.77
CCND1 P24385 1/20 0.77
CCNE1 P24864 1/20 0.77
CDK7 P50613 1/20 0.77
CDK9 P50750 1/20 0.77
CCNH P51946 1/20 0.77
MNAT1 P51948 1/20 0.77
CDK5 Q00535 1/20 0.77
CDK5R1 Q15078 1/20 0.77
AURKB Q96GD4 1/20 0.77
CCNA2 P20248 18/20 0.66
CCNA1 P78396 17/20 0.66
CCNB2 O95067 14/20 0.63
CCNB3 Q8WWL7 14/20 0.63

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
SCHEMBL31060307 1.00 CDK2 (0.77) CDK2CDK1CCNB1AURKACCNT1
SCHEMBL6789620 0.91 CDK2 (0.76) CDK2CDK1CCNB1AURKACCNT1
SCHEMBL6904174 0.88 CDK2 (0.75) CDK2CDK1CCNB1AURKACCNT1
SCHEMBL6789333 0.87 CDK2 (0.74) CDK2CDK1CCNB1AURKACCNT1
SCHEMBL29399474 0.87 CDK2 (1.00) CDK2CDK1CCNB1AURKACCNT1
SCHEMBL6787523 0.86 CDK2 (0.63) CDK2CDK1CCNB1AURKACCNT1
SCHEMBL6790184 0.86 CDK2 (0.75) CDK2CDK1CCNB1AURKACCNT1
SCHEMBL6789156 0.86 CDK2 (0.75) CDK2CDK1CCNB1AURKACCNT1
SCHEMBL29644959 0.86 CDK2 (0.75) CDK2CDK1CCNB1AURKACCNT1
SCHEMBL6790670 0.85 CDK2 (0.61) CDK2CDK1CCNB1AURKACCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210379021-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS RACE ONCOLOGY LTD (AU) 2021-12-09 US claimed
EP-2346988-B1 DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS TO THE PANCREATIC ENDOCRINE LINEAGE JANSSEN BIOTECH INC (US) 2017-05-31 EP claimed
US-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-06-10 US claimed
EP-1353922-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES Cancer Research Technology Limited (GB) 2003-10-22 EP claimed
WO-2002059125-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-08-01 WO claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
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
US-20200163939-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF SG CREDIT PARTNERS, INC. 2020-05-28 US disclosed
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2020-05-28 US disclosed
US-9234178-B2 Differentiation of human pluripotent stem cells JANSSEN BIOTECH, INC. (US) 2016-01-12 US disclosed
WO-2015013579-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE UPDATE PHARMA INC. (US) 2015-01-29 WO disclosed
EP-2346988-A1 DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS TO THE PANCREATIC ENDOCRINE LINEAGE Centocor Ortho Biotech Inc. (US) 2011-07-27 EP disclosed
US-20100112693-A1 Differentiation of Human Embryonic Stem Cells CENTOCOR ORTHO BIOTECH, INC. 2010-05-06 US disclosed
WO-2010051223-A1 DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS TO THE PANCREATIC ENDOCRINE LINEAGE CENTOCOR ORTHO BIOTECH INC. (US) 2010-05-06 WO disclosed
US-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-06-10 US disclosed
EP-1353922-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES Cancer Research Technology Limited (GB) 2003-10-22 EP disclosed
WO-2002059125-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-08-01 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-20200163939-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, MCL1 CDK2 512/4885CDK1 227/4885CCNB1 147/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 CDK2 441/4885CDK1 265/4885CCNB1 77/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 CDK2 512/4885CDK1 227/4885CCNB1 147/4885
US-20210379021-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS CYP3A43, CYP1A1, UGT1A3 CDK2 1640/4885CDK1 1489/4885CCNB1 275/4885
US-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CCNA1, CDKL1, CCNK CDK2 13/4885CDK1 4/4885CCNB1 20/4885
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, HCCS, MCL1 CDK2 441/4885CDK1 265/4885CCNB1 77/4885

“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.