SCHEMBL2358541

SCHEMBL2358541

CC(C)n1cnc2c(NCCc3ccc4[nH]ncc4c3)nc(-c3cccnc3)nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 6/20 0.52
▸ CDK12 Q9NYV4 6/20 0.52
▸ AHR P35869 1/20 0.45
▸ CDK2 P24941 10/20 0.45
▸ CCNE1 P24864 8/20 0.45
▸ CCNE2 O96020 3/20 0.45
▸ CCNA2 P20248 3/20 0.45
▸ CCNA1 P78396 3/20 0.45
▸ CDK9 P50750 5/20 0.44
▸ CDK1 P06493 9/20 0.43
▸ CCNB1 P14635 7/20 0.43
▸ CDK4 P11802 6/20 0.43
▸ MAPK1 P28482 6/20 0.43
▸ CDK7 P50613 6/20 0.43
▸ CCNH P51946 5/20 0.43
▸ CCND1 P24385 4/20 0.43
▸ CCNT1 O60563 4/20 0.43
▸ CDK5 Q00535 4/20 0.43
▸ MNAT1 P51948 1/20 0.43
▸ CDK6 Q00534 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
SCHEMBL15684650 0.89 CCNK (0.47) CCNKCDK12AHRCDK2CCNE1
SCHEMBL2358830 0.86 CCNK (0.48) CCNKCDK12AHRCDK2CCNE1
SCHEMBL3501809 0.85 AHR (0.51) CCNKCDK12AHRCDK2CCNE1
SCHEMBL2318356 0.84 AHR (0.51) CCNKCDK12AHRCDK2CCNE1
SCHEMBL2314268 0.84 CDK2 (0.45) CCNKCDK12AHRCDK2CCNE1
SCHEMBL2317564 0.84 AHR (0.62) AHRCDK2CCNE1CCNE2CCNA2
SCHEMBL25308712 0.83 CCNK (0.66) CCNKCDK12CDK2CCNE1CCNE2
SCHEMBL30518542 0.83 CCNK (0.66) CCNKCDK12CDK2CCNE1CCNE2
SCHEMBL2317298 0.83 AHR (0.50) CCNKCDK12AHRCDK2CCNE1
SCHEMBL2357914 0.83 AHR (0.46) CCNKCDK12AHRCDK2CCNE1

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 22 patents — showing the first 20. 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
EP-2350078-B1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS NOVARTIS AG (CH) 2019-04-17 — — 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-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
CN-102203096-A Compounds that expand hematopoietic stem cells IRM LLC 2011-09-28 — — CN 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 CCNK 2763/4885CDK12 3711/4885AHR 1/4885
US-20170239296-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 CCNK 2896/4885CDK12 2618/4885AHR 525/4885
US-20210187033-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 CCNK 2896/4885CDK12 2618/4885AHR 525/4885
US-20140114070-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 CCNK 2896/4885CDK12 2618/4885AHR 525/4885
US-20140023626-A1 Enhancement of Natural Killer (NK) Cell Proliferation and Activity PBK, IL2, AHR CCNK 211/4885CDK12 1748/4885AHR 3/4885
US-20100183564-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 CCNK 2896/4885CDK12 2618/4885AHR 525/4885
US-20140023623-A1 Methods of Culturing and Expanding Mesenchymal Stem Cells and Isolated Cell Populations Generated Thereby AHR, HGF, MTNR1A CCNK 3442/4885CDK12 4424/4885AHR 1/4885
US-20180142212-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS AHR, NOTCH1, ARNT CCNK 2763/4885CDK12 3711/4885AHR 1/4885

“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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