SCHEMBL7454459

SCHEMBL7454459

O=c1ccnc(-c2ccncc2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
GSK3B P49841 2/20 0.49
NPY5R Q15761 2/20 0.46
GRIA1 P42261 2/20 0.45
GRIA2 P42262 2/20 0.45
GRIA3 P42263 2/20 0.45
GRIA4 P48058 2/20 0.45
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
XDH P47989 1/20 0.41
IDO1 P14902 1/20 0.40
HPGDS O60760 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
SCHEMBL1133436 0.83 GAA (0.50) PDE3BPDE3AGSK3BNPY5RALDH1A1
SCHEMBL2130711 0.80 MAPK1 (0.53) PDE3BPDE3ANPY5RALDH1A1MAPT
SCHEMBL3462531 0.80 XDH (0.42) XDH
SCHEMBL28133332 0.80 PDE3B (0.53) PDE3BPDE3AGSK3BALDH1A1MAPT
SCHEMBL30062507 0.77 IDO1 (0.44) MAPTXDHIDO1
SCHEMBL27880566 0.77 CDK5 (0.41) GSK3BALDH1A1
SCHEMBL30060621 0.77 KMT2A (0.58) NPY5RALDH1A1MAPTHPGDHPGDS
SCHEMBL6294683 0.77 KMT2A (0.58) NPY5RALDH1A1MAPTHPGDHPGDS
SCHEMBL12071739 0.75 GCK (0.43) PDE3BPDE3AMAPTGAAXDH
SCHEMBL5502035 0.75 CDC7 (0.40) PDE3BPDE3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115721-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-18 EP claimed
WO-2000018758-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-04-06 WO claimed
US-11987560-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2024-05-21 US disclosed
CN-110036006-B Preparation and use of pyrimidinone derivatives 癌症研究科技有限公司 2022-12-13 CN disclosed
US-20220153706-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2022-05-19 US disclosed
US-10960005-B2 Treatment of relapsed and/or refractory solid tumors and non-hodgkin's lymphomas CELGENE QUANTICEL RESEARCH, INC. (US) 2021-03-30 US disclosed
US-10849898-B2 Treatment of relapsed and/or refractory solid tumors and non-Hodgkin's lymphomas CELGENE QUANTICEL RESEARCH, INC. (US) 2020-12-01 US disclosed
US-20200297727-A1 TREATMENT OF RELAPSED AND/OR REFRACTORY SOLID TUMORS AND NON-HODGKIN'S LYMPHOMAS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-09-24 US disclosed
US-10654810-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-19 US disclosed
US-20200113905-A1 TREATMENT OF RELAPSED AND/OR REFRACTORY SOLID TUMORS AND NON-HODGKIN'S LYMPHOMAS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-16 US disclosed
US-10548896-B2 Treatment of relapsed and/or refractory solid tumors and non-Hodgkin's lymphomas CELGENE QUANTICEL RESEARCH, INC. (US) 2020-02-04 US disclosed
US-10023543-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2018-07-17 US disclosed
US-20170349556-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 QUANTIEL PHARMACEUTICALS, INC. 2017-12-07 US disclosed
US-20170349555-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2017-12-07 US disclosed
US-9776974-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2017-10-03 US disclosed
US-20170114024-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 QUANTIEL PHARMACEUTICALS, INC. 2017-04-27 US disclosed
US-9573930-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2017-02-21 US disclosed
US-20160152595-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. 2016-06-02 US disclosed
US-20160130247-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 QUANTIEL PHARMACEUTICALS, INC. 2016-05-12 US disclosed
US-20150315187-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. 2015-11-05 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 (15 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-10548896-B2 Treatment of relapsed and/or refractory solid tumors and non-Hodgkin's lymphomas KDM1A, KDM1B, NSD1 PDE3B 4126/4885PDE3A 3839/4885GSK3B 2241/4885
US-10960005-B2 Treatment of relapsed and/or refractory solid tumors and non-hodgkin's lymphomas KDM1A, KDM1B, NSD1 PDE3B 4126/4885PDE3A 3839/4885GSK3B 2241/4885
US-20200113905-A1 TREATMENT OF RELAPSED AND/OR REFRACTORY SOLID TUMORS AND NON-HODGKIN'S LYMPHOMAS KDM1A, KDM1B, NSD1 PDE3B 4126/4885PDE3A 3839/4885GSK3B 2241/4885
US-11987560-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A PDE3B 1440/4885PDE3A 1166/4885GSK3B 1159/4885
US-10849898-B2 Treatment of relapsed and/or refractory solid tumors and non-Hodgkin's lymphomas KDM1A, KDM1B, NSD1 PDE3B 4126/4885PDE3A 3839/4885GSK3B 2241/4885
US-20170114024-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A PDE3B 1440/4885PDE3A 1166/4885GSK3B 1159/4885
US-20150315187-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A PDE3B 1440/4885PDE3A 1166/4885GSK3B 1159/4885
US-20170349556-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A PDE3B 1440/4885PDE3A 1166/4885GSK3B 1159/4885
US-10654810-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A PDE3B 1440/4885PDE3A 1166/4885GSK3B 1159/4885
US-20220153706-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A PDE3B 1440/4885PDE3A 1166/4885GSK3B 1159/4885
US-20170349555-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A PDE3B 1440/4885PDE3A 1166/4885GSK3B 1159/4885
US-20200297727-A1 TREATMENT OF RELAPSED AND/OR REFRACTORY SOLID TUMORS AND NON-HODGKIN'S LYMPHOMAS KDM1A, KDM1B, NSD1 PDE3B 4126/4885PDE3A 3839/4885GSK3B 2241/4885
US-20160130247-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A PDE3B 1440/4885PDE3A 1166/4885GSK3B 1159/4885
US-10023543-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A PDE3B 1440/4885PDE3A 1166/4885GSK3B 1159/4885
US-20160152595-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A PDE3B 1440/4885PDE3A 1166/4885GSK3B 1159/4885

“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.