SCHEMBL2312175

SCHEMBL2312175

CC(C)n1cnc2c(N(C)CCc3ccc(O)cc3)nc(-c3cccnc3)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 9/20 0.49
▸ AHR P35869 1/20 0.41
▸ CDK2 P24941 8/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CCNE1 P24864 6/20 0.39
▸ CCNA2 P20248 2/20 0.39
▸ CCNA1 P78396 2/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CDK1 P06493 7/20 0.39
▸ CCNB1 P14635 6/20 0.39
▸ CDK4 P11802 5/20 0.39
▸ CCND1 P24385 5/20 0.39
▸ MAPK1 P28482 5/20 0.39
▸ CDK7 P50613 5/20 0.39
▸ CCNH P51946 5/20 0.39
▸ CDK5 Q00535 2/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38

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
SCHEMBL2311224 0.91 GBA1 (0.47) GBA1CDK2CDK9CCNE1CCNA2
SCHEMBL2312183 0.83 AHR (0.43) AHRCDK2CDK9CCNE1CCNA2
SCHEMBL2317564 0.81 AHR (0.62) GBA1AHRCDK2CDK9CCNE1
SCHEMBL3501675 0.81 CDK2 (0.40) GBA1AHRCDK2CDK9CCNE1
SCHEMBL2315248 0.79 CDK2 (0.41) AHRCDK2CDK9CCNE1CCNA2
SCHEMBL2311219 0.78 CDK2 (0.46) CDK2CDK9CCNE1CCNA2CCNA1
SCHEMBL2312171 0.77 CDK2 (0.46) AHRCDK2CDK9CCNE1CCNA2
SCHEMBL2314283 0.76 CDK2 (0.47) AHRCDK2CDK9CCNE1CCNA2
SCHEMBL21017183 0.75 GBA1 (0.52) GBA1
SCHEMBL3242817 0.74 ITGB1 (0.46) AHRCDK2CDK9CCNE1CCNA2

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580426-B2 Compounds that expand hematopoietic stem cells NOVARTIS AG (CH) 2017-02-28 — — US claimed
US-20140114070-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-24 — — 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
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-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
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-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
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
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-20210187033-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 GBA1 349/4885AHR 525/4885CDK2 3659/4885
US-20140114070-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 GBA1 349/4885AHR 525/4885CDK2 3659/4885
US-20140023626-A1 Enhancement of Natural Killer (NK) Cell Proliferation and Activity PBK, IL2, AHR GBA1 2252/4885AHR 3/4885CDK2 1909/4885
US-20100183564-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 GBA1 349/4885AHR 525/4885CDK2 3659/4885
US-20140023623-A1 Methods of Culturing and Expanding Mesenchymal Stem Cells and Isolated Cell Populations Generated Thereby AHR, HGF, MTNR1A GBA1 4639/4885AHR 1/4885CDK2 2032/4885
US-20180142212-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS AHR, NOTCH1, ARNT GBA1 4237/4885AHR 1/4885CDK2 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.

Send feedback