SCHEMBL4867515

SCHEMBL4867515

Nc1cccnc1N1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.58
GRIN3B O60391 1/20 0.58
GRIN1 Q05586 1/20 0.58
GRIN2A Q12879 1/20 0.58
GRIN2B Q13224 1/20 0.58
GRIN2C Q14957 1/20 0.58
GRIN3A Q8TCU5 1/20 0.58
CYP1A2 P05177 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
CNR2 P34972 1/20 0.50
KEAP1 Q14145 1/20 0.47
MAPT P10636 2/20 0.46
NUDT1 P36639 1/20 0.46
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL29508931 1.00 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4437674 0.98 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL27517144 0.98 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29509151 0.98 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14335129 0.85 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29445436 0.83 CYP1A2 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14782171 0.83 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1551043 0.83 CYP1A2 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8415184 0.83 EPHX2 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4865013 0.83 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104918940-B Purine inhibitors of human phosphatidylinositol 3-kinase 默沙东公司 2017-03-08 CN claimed
US-11529350-B2 Tyrosine kinase non-receptor 1 (TNK1) inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2022-12-20 US disclosed
US-11529350-B2 Tyrosine kinase non-receptor 1 (TNK1) inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2022-12-20 US disclosed
EP-3994132-A1 TYROSINE KINASE NON-RECEPTOR 1 (TNK1) INHIBITORS AND USES THEREOF Sumitomo Dainippon Pharma Oncology, Inc. (US) 2022-05-11 EP disclosed
CN-114302878-A Tyrosine kinase non-receptor 1(TNK1) inhibitors and uses thereof 大日本住友制药肿瘤公司 2022-04-08 CN disclosed
WO-2021003417-A1 TYROSINE KINASE NON-RECEPTOR 1 (TNK1) INHIBITORS AND USES THEREOF SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2021-01-07 WO disclosed
US-20210000825-A1 Tyrosine Kinase Non-Receptor 1 (TNK1) Inhibitors and Uses Thereof SUMITOMO PHARMA ONCOLOGY, INC. 2021-01-07 US disclosed
WO-2021003417-A1 TYROSINE KINASE NON-RECEPTOR 1 (TNK1) INHIBITORS AND USES THEREOF SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2021-01-07 WO disclosed
US-20210000825-A1 Tyrosine Kinase Non-Receptor 1 (TNK1) Inhibitors and Uses Thereof SUMITOMO PHARMA ONCOLOGY, INC. 2021-01-07 US disclosed
US-10344017-B2 Pyrrolcarboxamide derivatives for the inhibition of ERK5 CANCER RESEARCH TECH LTD (GB) 2019-07-09 US disclosed
US-20180170911-A1 PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHIBITION OF ERK5 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-06-21 US disclosed
EP-3194390-A1 PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHBITION OF ERK5 Cancer Research Technology Ltd (GB) 2017-07-26 EP disclosed
WO-2016042341-A1 PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHBITION OF ERK5 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-03-24 WO disclosed
US-7361662-B2 Pyridopyrimidinone compounds, method for production thereof and medicaments comprising the same LES LABORATOIRES SERVIER (FR) 2008-04-22 US disclosed
CN-1330650-C Pyridopyrimidinone compounds, process for their preparation and medicaments containing them SERVIER LAB (FR) 2007-08-08 CN disclosed
EP-1560826-B1 PYRIDOPYRIMIDINONE COMPOUNDS, METHOD FOR PRODUCTION THEREOF AND MEDICAMENTS COMPRISING THE SAME SERVIER LAB (FR) 2006-04-12 EP disclosed
US-20050288311-A1 Pyridopyrimidinone compounds, method for production thereof and medicaments comprising the same LES LABORATOIERS SERVIER (FR) 2005-12-29 US disclosed
CN-1711260-A Pyridopyrimidinone compounds, process for their preparation and medicaments containing them SERVIER LAB (FR) 2005-12-21 CN disclosed
EP-1560826-A1 PYRIDOPYRIMIDINONE COMPOUNDS, METHOD FOR PRODUCTION THEREOF AND MEDICAMENTS COMPRISING THE SAME Les Laboratoires Servier (FR) 2005-08-10 EP disclosed
WO-2004043956-A1 PYRIDOPYRIMIDINONE COMPOUNDS, METHOD FOR PRODUCTION THEREOF AND MEDICAMENTS COMPRISING THE SAME LES LABORATOIRES SERVIER (FR) 2004-05-27 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 (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-20210000825-A1 Tyrosine Kinase Non-Receptor 1 (TNK1) Inhibitors and Uses Thereof TNK1, TNNI3K, TYK2 GRIN2D 2440/4885GRIN3B 1515/4885GRIN1 501/4885
US-11529350-B2 Tyrosine kinase non-receptor 1 (TNK1) inhibitors and uses thereof TNK1, TNNI3K, TYK2 GRIN2D 2440/4885GRIN3B 1515/4885GRIN1 501/4885
US-20180170911-A1 PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHIBITION OF ERK5 MAPKAPK5, MAP3K5, MAPK15 GRIN2D 4398/4885GRIN3B 3664/4885GRIN1 1605/4885
US-20050288311-A1 Pyridopyrimidinone compounds, method for production thereof and medicaments comprising the same MAP4K2, PLK2, MAP4K3 GRIN2D 1759/4885GRIN3B 1675/4885GRIN1 1201/4885
US-10344017-B2 Pyrrolcarboxamide derivatives for the inhibition of ERK5 MAPKAPK5, MAP3K5, MAPK15 GRIN2D 4398/4885GRIN3B 3664/4885GRIN1 1605/4885

“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.