SCHEMBL2314533

SCHEMBL2314533

CC(C)n1cnc2c(NCCN3CCNC(=O)C3)nc(-c3csc4ccccc34)nc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.62
▸ CDK5 Q00535 10/20 0.39
▸ CDK1 P06493 10/20 0.39
▸ CDK5R1 Q15078 8/20 0.39
▸ CCNB2 O95067 7/20 0.39
▸ CCNB1 P14635 7/20 0.39
▸ CCNB3 Q8WWL7 7/20 0.39
▸ TLR9 Q9NR96 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CDK2 P24941 4/20 0.36
▸ CCNE1 P24864 3/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ CLK2 P49760 2/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35

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
SCHEMBL30315440 1.00 AHR (0.62) AHRCDK5CDK1CDK5R1CCNB2
SCHEMBL2310920 0.89 AHR (0.64) AHRCDK5CDK1CDK5R1CCNB2
SCHEMBL30315325 0.89 AHR (0.64) AHRCDK5CDK1CDK5R1CCNB2
SCHEMBL2312403 0.81 CDK1 (0.45) CDK5CDK1CDK5R1CCNB2CCNB1
SCHEMBL30315385 0.81 CDK1 (0.45) CDK5CDK1CDK5R1CCNB2CCNB1
SCHEMBL2318576 0.81 AHR (0.69) AHRCDK5CDK1CDK5R1CCNB2
SCHEMBL2314146 0.80 AHR (0.70) AHRCDK5CDK1CDK5R1CCNB2
SCHEMBL30315381 0.80 AHR (0.70) AHRCDK5CDK1CDK5R1CCNB2
SCHEMBL15011335 0.79 AHR (0.87) AHRCDK5CDK1CCNB2CCNB1
SCHEMBL24689885 0.79 AHR (0.72) AHRCDK5CDK1CDK5R1CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3524604-B1 EXPANDED HEMATOPOIETIC STEM CELLS FROM CORD BLOOD AND THEIR THERAPEUTIC USE NOVARTIS AG (CH) 2023-03-29 — — EP disclosed
US-20210187033-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS NOVARTIS AG (CH) 2021-06-24 — — US disclosed
EP-3524604-A1 EXPANDED HEMATOPOIETIC STEM CELLS FROM CORD BLOOD AND THEIR THERAPEUTIC USE Novartis AG (CH) 2019-08-14 — — EP 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
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
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
WO-2010059401-A2 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2010-05-27 — — 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 (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 AHR 1/4885CDK5 3822/4885CDK1 3739/4885
US-20170239296-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 AHR 525/4885CDK5 4497/4885CDK1 2794/4885
US-20210187033-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 AHR 525/4885CDK5 4497/4885CDK1 2794/4885
US-20140114070-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 AHR 525/4885CDK5 4497/4885CDK1 2794/4885
US-20140023626-A1 Enhancement of Natural Killer (NK) Cell Proliferation and Activity PBK, IL2, AHR AHR 3/4885CDK5 4004/4885CDK1 2075/4885
US-20100183564-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 AHR 525/4885CDK5 4497/4885CDK1 2794/4885
US-20140023623-A1 Methods of Culturing and Expanding Mesenchymal Stem Cells and Isolated Cell Populations Generated Thereby AHR, HGF, MTNR1A AHR 1/4885CDK5 3149/4885CDK1 4486/4885
US-20180142212-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS AHR, NOTCH1, ARNT AHR 1/4885CDK5 3822/4885CDK1 3739/4885

“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.

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