SCHEMBL3242817

SCHEMBL3242817

CC(C)n1cnc2c(N[C@@H](Cc3ccc(O)cc3)C(=O)O)nc(-c3cccnc3)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.46
▸ ITGA4 P13612 1/20 0.46
▸ CDK2 P24941 16/20 0.45
▸ CCNE1 P24864 9/20 0.45
▸ CDK9 P50750 3/20 0.43
▸ AHR P35869 1/20 0.43
▸ CDK1 P06493 9/20 0.43
▸ CDK4 P11802 7/20 0.43
▸ MAPK1 P28482 7/20 0.43
▸ CDK7 P50613 7/20 0.43
▸ CCNB1 P14635 7/20 0.43
▸ CDK5 Q00535 7/20 0.43
▸ CCNH P51946 6/20 0.43
▸ CCND1 P24385 5/20 0.43
▸ CCNT1 O60563 2/20 0.43
▸ MNAT1 P51948 1/20 0.43
▸ CDK6 Q00534 1/20 0.43
▸ CCNA2 P20248 6/20 0.43
▸ CCNA1 P78396 6/20 0.43
▸ CDK5R1 Q15078 6/20 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
SCHEMBL30315264 0.92 CDK1 (0.45) CDK2CCNE1CDK9AHRCDK1
SCHEMBL2313974 0.92 CDK1 (0.45) CDK2CCNE1CDK9AHRCDK1
SCHEMBL2312171 0.89 CDK2 (0.46) CDK2CCNE1CDK9AHRCDK1
SCHEMBL2313988 0.84 CDK2 (0.42) CDK2CCNE1CDK9CDK1CDK4
SCHEMBL2314283 0.84 CDK2 (0.47) CDK2CCNE1CDK9AHRCDK1
SCHEMBL21016422 0.83 CDK2 (0.48) CDK2CCNE1CDK9CDK1CDK4
SCHEMBL15422733 0.82 CDK2 (0.42) CDK2CCNE1CDK9AHRCDK1
SCHEMBL2317564 0.82 AHR (0.62) CDK2CCNE1CDK9AHRCDK1
SCHEMBL2311219 0.78 CDK2 (0.46) CDK2CCNE1CDK9CDK1CDK4
SCHEMBL2312183 0.77 AHR (0.43) CDK2CCNE1CDK9AHRCDK1

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
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-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
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-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
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 (7 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 ITGB1 3832/4885ITGA4 3495/4885CDK2 3107/4885
US-20170239296-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 ITGB1 611/4885ITGA4 949/4885CDK2 3659/4885
US-20210187033-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 ITGB1 611/4885ITGA4 949/4885CDK2 3659/4885
US-20140114070-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 ITGB1 611/4885ITGA4 949/4885CDK2 3659/4885
US-20140023626-A1 Enhancement of Natural Killer (NK) Cell Proliferation and Activity PBK, IL2, AHR ITGB1 1091/4885ITGA4 1212/4885CDK2 1909/4885
US-20100183564-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 ITGB1 611/4885ITGA4 949/4885CDK2 3659/4885
US-20180142212-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS AHR, NOTCH1, ARNT ITGB1 3832/4885ITGA4 3495/4885CDK2 3107/4885

“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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