SCHEMBL2312592

SCHEMBL2312592

CC(C)n1cnc2c(NCCN3CCNC3=O)nc(-c3cccnc3)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ IRAK1 P51617 1/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ CDK1 P06493 10/20 0.47
▸ CCNB1 P14635 8/20 0.47
▸ CDK5 Q00535 8/20 0.47
▸ CDK5R1 Q15078 7/20 0.47
▸ CCNB2 O95067 6/20 0.47
▸ CCNB3 Q8WWL7 6/20 0.47
▸ CDK2 P24941 8/20 0.45
▸ CCNE1 P24864 5/20 0.45
▸ CCNA2 P20248 3/20 0.45
▸ CCNA1 P78396 3/20 0.45
▸ CCNE2 O96020 2/20 0.45
▸ CDK9 P50750 3/20 0.43
▸ CDK4 P11802 4/20 0.43
▸ MAPK1 P28482 4/20 0.43
▸ CDK7 P50613 4/20 0.43
▸ CCNH P51946 3/20 0.43

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
SCHEMBL30315224 1.00 ADORA2A (0.48) ADORA2AADORA1IRAK1IRAK4CDK1
SCHEMBL30315385 0.87 CDK1 (0.45) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL2312403 0.87 CDK1 (0.45) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL2315254 0.81 CDK2 (0.48) IRAK4CDK1CCNB1CDK5CDK5R1
SCHEMBL21017207 0.80 CDK2 (0.52) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL3499988 0.80 CDK1 (0.44) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL30315450 0.80 CDK1 (0.44) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL2313497 0.80 CDK2 (0.52) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL2310920 0.79 AHR (0.64) ADORA2AADORA1IRAK1IRAK4CDK1
SCHEMBL30315325 0.79 AHR (0.64) ADORA2AADORA1IRAK1IRAK4CDK1

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 49 patents — showing the first 20. 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 claimed
EP-2350078-B1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS NOVARTIS AG (CH) 2019-04-17 — — EP claimed
US-20170239296-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS NOVARTIS AG (CH) 2017-08-24 — — US claimed
US-9580426-B2 Compounds that expand hematopoietic stem cells NOVARTIS AG (CH) 2017-02-28 — — US claimed
US-9175266-B2 Enhancement of natural killer (NK) cell proliferation and activity GAMIDA CELL LTD. (IL) 2015-11-03 — — US claimed
US-8927281-B2 Method for expanding hematopoietic stem cells IRM LLC (BM) 2015-01-06 — — US claimed
US-20140114070-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-24 — — US claimed
US-20140023623-A1 Methods of Culturing and Expanding Mesenchymal Stem Cells and Isolated Cell Populations Generated Thereby GAMIDA CELL INC. 2014-01-23 — — US claimed
US-20140023626-A1 Enhancement of Natural Killer (NK) Cell Proliferation and Activity GAMIDA CELL INC. 2014-01-23 — — US claimed
EP-2350078-A2 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2011-08-03 — — EP claimed
US-20100183564-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2010-07-22 — — US claimed
WO-2010059401-A2 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2010-05-27 — — WO claimed
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
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
US-20100183564-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2010-07-22 — — US 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
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 (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-20170239296-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 ADORA2A 1595/4885ADORA1 1604/4885IRAK1 1440/4885
US-20210187033-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 ADORA2A 1595/4885ADORA1 1604/4885IRAK1 1440/4885
US-20140114070-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 ADORA2A 1595/4885ADORA1 1604/4885IRAK1 1440/4885
US-20140023626-A1 Enhancement of Natural Killer (NK) Cell Proliferation and Activity PBK, IL2, AHR ADORA2A 492/4885ADORA1 618/4885IRAK1 983/4885
US-20100183564-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 ADORA2A 1595/4885ADORA1 1604/4885IRAK1 1440/4885
US-20140023623-A1 Methods of Culturing and Expanding Mesenchymal Stem Cells and Isolated Cell Populations Generated Thereby AHR, HGF, MTNR1A ADORA2A 152/4885ADORA1 507/4885IRAK1 1627/4885

“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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