SCHEMBL2312865

SCHEMBL2312865

CC(=O)NCC(C)CNc1nc(-c2cccnc2)nc2c1ncn2C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 15/20 0.50
▸ CCNB1 P14635 13/20 0.50
▸ CDK5 Q00535 7/20 0.50
▸ CDK5R1 Q15078 6/20 0.50
▸ CCNB2 O95067 5/20 0.50
▸ CCNB3 Q8WWL7 5/20 0.50
▸ CDK2 P24941 14/20 0.49
▸ CDK9 P50750 5/20 0.49
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ CDK4 P11802 10/20 0.45
▸ CDK7 P50613 10/20 0.45
▸ CCNE1 P24864 10/20 0.45
▸ MAPK1 P28482 9/20 0.45
▸ CCNH P51946 9/20 0.45
▸ CCND1 P24385 8/20 0.45
▸ CCNT1 O60563 3/20 0.45
▸ MNAT1 P51948 1/20 0.45

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
SCHEMBL30315529 1.00 CDK1 (0.50) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL30315332 0.83 CDK5 (0.53) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL2310970 0.83 CDK5 (0.53) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL21017207 0.82 CDK2 (0.52) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL2315371 0.81 CDK2 (0.54) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL25308297 0.78 CCNK (0.64) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL30518535 0.78 CCNK (0.64) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL2318356 0.77 AHR (0.51) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL30518560 0.77 CDK2 (0.56) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL25309378 0.77 CDK2 (0.56) CDK1CCNB1CDK5CDK5R1CCNB2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210187033-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS NOVARTIS AG (CH) 2021-06-24 — — US disclosed
EP-2788476-B1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS HUTCHINSON FRED CANCER RES (US) 2019-05-22 — — EP disclosed
US-20180142212-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS FRED HUTCHINSON CANCER RESEARCH CENTER 2018-05-24 — — US disclosed
US-9834755-B2 Compositions and methods for enhanced generation of hematopoietic stem/progenitor cells FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2017-12-05 — — US disclosed
US-20170239296-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS NOVARTIS AG (CH) 2017-08-24 — — US disclosed
US-9580426-B2 Compounds that expand hematopoietic stem cells NOVARTIS AG (CH) 2017-02-28 — — US disclosed
US-9567569-B2 Methods of culturing and expanding mesenchymal stem cells GAMIDA CELL LTD. (IL) 2017-02-14 — — US disclosed
US-9175266-B2 Enhancement of natural killer (NK) cell proliferation and activity GAMIDA CELL LTD. (IL) 2015-11-03 — — US disclosed
US-8927281-B2 Method for expanding hematopoietic stem cells IRM LLC (BM) 2015-01-06 — — US disclosed
US-20140369973-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2014-12-18 — — US disclosed
EP-2788476-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS Fred Hutchinson Cancer Research Center (US) 2014-10-15 — — EP disclosed
US-20140114070-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-24 — — US disclosed
US-20140023623-A1 Methods of Culturing and Expanding Mesenchymal Stem Cells and Isolated Cell Populations Generated Thereby GAMIDA CELL INC. 2014-01-23 — — US disclosed
US-20140023626-A1 Enhancement of Natural Killer (NK) Cell Proliferation and Activity GAMIDA CELL INC. 2014-01-23 — — US disclosed
WO-2013086436-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2013-06-13 — — WO disclosed
EP-2350078-A2 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2011-08-03 — — EP disclosed
US-20100183564-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2010-07-22 — — 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 (8 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-20140369973-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS AHR, NOTCH1, ARNT CDK1 3739/4885CCNB1 2637/4885CDK5 3822/4885
US-20170239296-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 CDK1 2794/4885CCNB1 2656/4885CDK5 4497/4885
US-20210187033-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 CDK1 2794/4885CCNB1 2656/4885CDK5 4497/4885
US-20140114070-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 CDK1 2794/4885CCNB1 2656/4885CDK5 4497/4885
US-20140023626-A1 Enhancement of Natural Killer (NK) Cell Proliferation and Activity PBK, IL2, AHR CDK1 2075/4885CCNB1 1309/4885CDK5 4004/4885
US-20100183564-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 CDK1 2794/4885CCNB1 2656/4885CDK5 4497/4885
US-20140023623-A1 Methods of Culturing and Expanding Mesenchymal Stem Cells and Isolated Cell Populations Generated Thereby AHR, HGF, MTNR1A CDK1 4486/4885CCNB1 2218/4885CDK5 3149/4885
US-20180142212-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS AHR, NOTCH1, ARNT CDK1 3739/4885CCNB1 2637/4885CDK5 3822/4885

“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.

Send feedback