SCHEMBL5004595

SCHEMBL5004595

c1ncc2ncn(N3CCOCC3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MKNK2 Q9HBH9 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LTA4H P09960 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
HTT P42858 2/20 0.30
PIK3CB P42338 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HBB P68871 1/20 0.30

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
SCHEMBL11611670 0.85 FDPS (0.38) FDPSMEN1KMT2AMKNK2HDAC1
SCHEMBL1748495 0.83 FDPS (0.37) FDPSMEN1KMT2AMKNK2HDAC1
SCHEMBL2507997 0.81 FDPS (0.35) FDPSMEN1KMT2AMKNK2HDAC1
SCHEMBL2120550 0.78 FDPS (0.45) FDPSMEN1KMT2AMKNK2HDAC1
SCHEMBL28340215 0.77 FDPS (0.44) FDPSMEN1KMT2AMKNK2HDAC1
SCHEMBL2776765 0.75 PIK3CA (0.39) HDAC6ALDH1A1CYP1A2PIK3CB
Tetrahydrofuran SCHEMBL28855131 0.71 FDPS (0.35) FDPSMEN1KMT2AMKNK2HDAC1
SCHEMBL27734755 0.70 FDPS (0.40) FDPSMEN1KMT2AMKNK2HDAC1
SCHEMBL28444794 0.70 FDPS (0.35) FDPSMKNK2HDAC1HDAC6LTA4H
SCHEMBL28271008 0.70 FDPS (0.35) FDPSMKNK2HDAC1HDAC6LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113832110-A Induced pluripotent stem cell carrying GCH1 gene mutation and preparation method for differentiating induced pluripotent stem cell into neural precursor cell 珠海乐维再生医学科技有限公司 2021-12-24 CN claimed
CN-106659765-A Use of dianhydrogalactitol and analogs or derivatives thereof to treat non-small-cell carcinoma of the lung and ovarian cancer 德玛医药 2017-05-10 CN claimed
CN-113832110-A Induced pluripotent stem cell carrying GCH1 gene mutation and preparation method for differentiating induced pluripotent stem cell into neural precursor cell 珠海乐维再生医学科技有限公司 2021-12-24 CN disclosed
CN-109311843-B Azabenzimidazole derivatives as PI3K beta inhibitors 詹森药业有限公司 2021-10-08 CN disclosed
CN-108349946-B Quinoxaline and pyridopyrazine derivatives as PI3K beta inhibitors 詹森药业有限公司 2021-05-18 CN disclosed
US-20200079763-A1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS A PI3KB INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-03-12 US disclosed
CN-110461827-A Quinoxaline and pyrido-pyrazine derivatives as PI3K- beta inhibitor JANSSEN PHARMACEUTICA NV 2019-11-15 CN disclosed
US-20190263804-A1 AZABENZIMIDAZOLE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-08-29 US disclosed
CN-109311843-A Azabenzimidazoles derivative as PI3K beta inhibitor 詹森药业有限公司 2019-02-05 CN disclosed
CN-109311875-A Two ring pyridines, two ring pyrazines and bicyclic pyrimidine derivatives as PI3K beta inhibitor 詹森药业有限公司 2019-02-05 CN disclosed
CN-108349946-A Quinoxaline and pyrido-pyrazine derivatives as PI3K beta inhibitors 詹森药业有限公司 2018-07-31 CN disclosed
CN-106659765-A Use of dianhydrogalactitol and analogs or derivatives thereof to treat non-small-cell carcinoma of the lung and ovarian cancer 德玛医药 2017-05-10 CN disclosed
CN-103003279-B Purine compounds selective for PI3K P110 and methods of use thereof F. HOFFMANN-LA ROCHE AG (CH) 2015-09-23 CN disclosed
CN-102459272-B Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH INC 2014-08-06 CN disclosed
CN-102105474-B Purine PI3K inhibitor compounds and methods of use GENENTECH INC 2014-01-08 CN disclosed
CN-103003279-A Purine compounds selective for PI3K P110 delta and methods of use thereof HOFFMANN LA ROCHE 2013-03-27 CN disclosed
CN-102459272-A Bicyclic pyrimidine pi3k inhibitor compounds selective for p110 delta, and methods of use GENENTECH INC 2012-05-16 CN disclosed
CN-102245607-A Morpholinopurine derivative DAIICHI SANKYO CO LTD 2011-11-16 CN disclosed
CN-102105474-A Purine PI3K inhibitor compounds and methods of use GENENTECH INC 2011-06-22 CN disclosed
US-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 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 (3 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-20190263804-A1 AZABENZIMIDAZOLE DERIVATIVES AS PI3K BETA INHIBITORS PIK3CD, PIK3CB, PIK3CA FDPS 936/4885MEN1 2562/4885KMT2A 1476/4885
US-20200079763-A1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS A PI3KB INHIBITORS PIK3CB, PIK3CA, PIK3R5 FDPS 713/4885MEN1 2911/4885KMT2A 2159/4885
US-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, MTMR1 FDPS 352/4885MEN1 2870/4885KMT2A 2923/4885

“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.