SCHEMBL2315406

SCHEMBL2315406

CC(C)n1cnc2c(NCCc3ccc(NS(C)(=O)=O)cc3)nc(-c3cccnc3)nc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 7/20 0.64
▸ CDK5R1 Q15078 7/20 0.64
▸ CCNB2 O95067 6/20 0.64
▸ CDK1 P06493 6/20 0.64
▸ CCNB1 P14635 6/20 0.64
▸ CCNB3 Q8WWL7 6/20 0.64
▸ AHR P35869 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.46
▸ CDK2 P24941 6/20 0.46
▸ CCNA2 P20248 5/20 0.46
▸ CCNA1 P78396 5/20 0.46
▸ CCNE2 O96020 4/20 0.46
▸ CCNE1 P24864 4/20 0.46
▸ CDK9 P50750 1/20 0.44
▸ CCNK O75909 2/20 0.44
▸ CDK12 Q9NYV4 2/20 0.44
▸ GBA1 P04062 2/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ KDM4E B2RXH2 1/20 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
SCHEMBL15010705 0.93 CDK1 (0.54) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL2311792 0.88 KDM4E (0.58) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL20895820 0.87 CDK2 (0.51) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL2318356 0.87 AHR (0.51) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL18558073 0.86 AHR (0.49) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL2317564 0.86 AHR (0.62) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL2314880 0.85 CDK1 (0.47) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL20895840 0.84 AHR (0.49) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL3501809 0.82 AHR (0.51) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL2317298 0.81 AHR (0.50) CDK5CDK5R1CCNB2CDK1CCNB1

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 41 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-20140023626-A1 Enhancement of Natural Killer (NK) Cell Proliferation and Activity GAMIDA CELL INC. 2014-01-23 — — 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-20100183564-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2010-07-22 — — US 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
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
EP-2350078-B1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS NOVARTIS AG (CH) 2019-04-17 — — 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
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 CDK5 4497/4885CDK5R1 4253/4885CCNB2 2697/4885
US-20210187033-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 CDK5 4497/4885CDK5R1 4253/4885CCNB2 2697/4885
US-20140114070-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 CDK5 4497/4885CDK5R1 4253/4885CCNB2 2697/4885
US-20140023626-A1 Enhancement of Natural Killer (NK) Cell Proliferation and Activity PBK, IL2, AHR CDK5 4004/4885CDK5R1 3007/4885CCNB2 1580/4885
US-20100183564-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 CDK5 4497/4885CDK5R1 4253/4885CCNB2 2697/4885
US-20140023623-A1 Methods of Culturing and Expanding Mesenchymal Stem Cells and Isolated Cell Populations Generated Thereby AHR, HGF, MTNR1A CDK5 3149/4885CDK5R1 2282/4885CCNB2 2217/4885

“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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