SCHEMBL2318583

SCHEMBL2318583

COc1cc(CCNc2nc(-c3cccnc3)nc3c2ncn3C(C)C)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 7/20 0.52
▸ ADORA2A P29274 2/20 0.50
▸ POLB P06746 1/20 0.49
▸ AHR P35869 1/20 0.48
▸ CDK1 P06493 8/20 0.47
▸ CCNB2 O95067 7/20 0.47
▸ CCNB1 P14635 7/20 0.47
▸ CCNB3 Q8WWL7 7/20 0.47
▸ CDK5 Q00535 6/20 0.47
▸ CDK5R1 Q15078 6/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSPO P30536 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ CDK2 P24941 3/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ CCNE2 O96020 2/20 0.44

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
SCHEMBL3501809 0.91 AHR (0.51) AHRCDK1CCNB2CCNB1CCNB3
SCHEMBL2317298 0.89 AHR (0.50) AHRCDK1CCNB2CCNB1CCNB3
SCHEMBL2317255 0.89 AHR (0.49) AHRCDK1CCNB2CCNB1CCNB3
SCHEMBL2317564 0.86 AHR (0.62) AHRCDK1CCNB2CCNB1CCNB3
SCHEMBL2318356 0.84 AHR (0.51) AHRCDK1CCNB2CCNB1CCNB3
SCHEMBL2311792 0.82 KDM4E (0.58) AHRCDK1CCNB2CCNB1CCNB3
SCHEMBL2358541 0.81 CCNK (0.52) AHRCDK1CCNB2CCNB1CCNB3
SCHEMBL15684650 0.81 CCNK (0.47) AHRCDK1CCNB2CCNB1CCNB3
SCHEMBL20895840 0.81 AHR (0.49) AHRCDK1CCNB2CCNB1CCNB3
SCHEMBL20895820 0.81 CDK2 (0.51) AHRCDK1CCNB2CCNB1CCNB3

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 45 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 ADORA3 1390/4885ADORA2A 1595/4885POLB 3360/4885
US-20210187033-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 ADORA3 1390/4885ADORA2A 1595/4885POLB 3360/4885
US-20140114070-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 ADORA3 1390/4885ADORA2A 1595/4885POLB 3360/4885
US-20140023626-A1 Enhancement of Natural Killer (NK) Cell Proliferation and Activity PBK, IL2, AHR ADORA3 942/4885ADORA2A 492/4885POLB 3252/4885
US-20100183564-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 ADORA3 1390/4885ADORA2A 1595/4885POLB 3360/4885
US-20140023623-A1 Methods of Culturing and Expanding Mesenchymal Stem Cells and Isolated Cell Populations Generated Thereby AHR, HGF, MTNR1A ADORA3 598/4885ADORA2A 152/4885POLB 3966/4885

“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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