SCHEMBL13253979

SCHEMBL13253979

Oc1ccc(CCNc2nc(-c3cccnc3)nc3c2ncn3[C@@H]2CCOC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ PGK1 P00558 2/20 0.43
▸ PGK2 P07205 2/20 0.43
▸ GBA1 P04062 4/20 0.42
▸ PDE5A O76074 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ CCNK O75909 8/20 0.40
▸ CDK12 Q9NYV4 8/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ AHR P35869 1/20 0.40

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
SCHEMBL2317411 1.00 PIK3CA (0.44) PIK3CAMTORPIK3CGPGK1PGK2
SCHEMBL13253978 1.00 PIK3CA (0.44) PIK3CAMTORPIK3CGPGK1PGK2
SCHEMBL2315257 0.93 PGK1 (0.45) PIK3CAMTORPIK3CGPGK1PGK2
SCHEMBL2313935 0.91 GBA1 (0.46) PIK3CAMTORPIK3CGPGK1PGK2
SCHEMBL2314682 0.87 PIK3CA (0.44) PIK3CAMTORPIK3CGPGK1PGK2
SCHEMBL2314694 0.87 PIK3CA (0.44) PIK3CAMTORPIK3CGPGK1PGK2
SCHEMBL2313576 0.87 PIK3CA (0.44) PIK3CAMTORPIK3CGPGK1PGK2
SCHEMBL2313861 0.86 PIK3CA (0.45) PIK3CAMTORPIK3CGPGK1PGK2
SCHEMBL2318500 0.82 CYP2D6 (0.47) PGK1PGK2ADORA3
SCHEMBL2318493 0.82 CYP2D6 (0.47) PGK1PGK2ADORA3

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 11 patents. 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 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-8927281-B2 Method for expanding hematopoietic stem cells IRM LLC (BM) 2015-01-06 — — 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
US-20140114070-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-24 — — 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

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-20140369973-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS AHR, NOTCH1, ARNT PIK3CA 2527/4885MTOR 4383/4885PIK3CG 2849/4885
US-20170239296-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 PIK3CA 1299/4885MTOR 1140/4885PIK3CG 1258/4885
US-20210187033-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 PIK3CA 1299/4885MTOR 1140/4885PIK3CG 1258/4885
US-20140114070-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 PIK3CA 1299/4885MTOR 1140/4885PIK3CG 1258/4885
US-20100183564-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 PIK3CA 1299/4885MTOR 1140/4885PIK3CG 1258/4885
US-20180142212-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS AHR, NOTCH1, ARNT PIK3CA 2527/4885MTOR 4383/4885PIK3CG 2849/4885

“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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