SCHEMBL3500316

SCHEMBL3500316

CC(C)n1cnc2c(NCCc3c[nH]c4cc[c]cc34)nc(-c3csc4ccccc34)nc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.64
CDK2 P24941 5/20 0.49
CCNE1 P24864 4/20 0.49
CCNE2 O96020 1/20 0.49
CDK5 Q00535 12/20 0.38
CDK1 P06493 11/20 0.38
CDK5R1 Q15078 10/20 0.38
CCNB2 O95067 8/20 0.38
CCNB1 P14635 8/20 0.38
CCNB3 Q8WWL7 8/20 0.38
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CLK4 Q9HAZ1 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL30315329 0.92 AHR (0.70) AHRCDK2CCNE1CCNE2CDK5
SCHEMBL2359403 0.92 AHR (0.70) AHRCDK2CCNE1CCNE2CDK5
SCHEMBL2359948 0.87 AHR (0.73) AHRCDK2CCNE1CCNE2CDK5
SCHEMBL2318495 0.86 AHR (0.61) AHRCDK2CCNE1CCNE2NPC1
SCHEMBL21016755 0.81 AHR (0.58) AHRCDK2CCNE1CCNE2CDK1
SCHEMBL2314090 0.81 AHR (0.79) AHRCDK2CCNE1CCNE2CDK5
SCHEMBL15011335 0.81 AHR (0.87) AHRCDK2CCNE1CCNE2CDK5
SCHEMBL2313738 0.80 AHR (0.71) AHRCDK2CCNE1CCNE2CDK5
SCHEMBL2317306 0.79 AHR (0.85) AHRCDK2CCNE1CCNE2CDK5
SCHEMBL19766270 0.79 AHR (0.85) AHRCDK2CCNE1CCNE2CDK5

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175266-B2 Enhancement of natural killer (NK) cell proliferation and activity GAMIDA CELL LTD. (IL) 2015-11-03 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
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-9567569-B2 Methods of culturing and expanding mesenchymal stem cells GAMIDA CELL LTD. (IL) 2017-02-14 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-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
US-20100183564-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2010-07-22 US 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 (5 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 AHR 1/4885CDK2 3107/4885CCNE1 2173/4885
US-20140023626-A1 Enhancement of Natural Killer (NK) Cell Proliferation and Activity PBK, IL2, AHR AHR 3/4885CDK2 1909/4885CCNE1 1493/4885
US-20100183564-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 AHR 525/4885CDK2 3659/4885CCNE1 3047/4885
US-20140023623-A1 Methods of Culturing and Expanding Mesenchymal Stem Cells and Isolated Cell Populations Generated Thereby AHR, HGF, MTNR1A AHR 1/4885CDK2 2032/4885CCNE1 2334/4885
US-20180142212-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS AHR, NOTCH1, ARNT AHR 1/4885CDK2 3107/4885CCNE1 2173/4885

“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.