SCHEMBL1662821

SCHEMBL1662821

Nc1cnn(CCCN2CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
KEAP1 Q14145 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIGMAR1 Q99720 2/20 0.41
POLB P06746 1/20 0.41
NFATC1 O95644 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
JAK2 O60674 2/20 0.39

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
SCHEMBL1284882 0.92 PIM1 (0.43) MAPTKEAP1SMN1; SMN2PIM1PIM3
Hydrochloric Acid SCHEMBL23212528 0.90 PIM1 (0.42) MAPTKEAP1SMN1; SMN2PIM1PIM3
SCHEMBL12802002 0.85 HRH3 (0.38) MAPTSIGMAR1ALDH1A1HRH3HRH4
SCHEMBL18410254 0.85 HRH3 (0.41) MAPTSIGMAR1ALDH1A1HRH3HRH4
SCHEMBL1665137 0.84 HRH3 (0.43) MAPTSIGMAR1ALDH1A1HRH3HRH4
SCHEMBL1662775 0.83 HRH4 (0.43) MAPTSIGMAR1ALDH1A1HPGDKDM1A
SCHEMBL19287360 0.81 CXCR4 (0.42) MAPTSIGMAR1ALDH1A1KDM1AHRH3
SCHEMBL27429326 0.81 MAPT (0.45) MAPTKEAP1SMN1; SMN2SIGMAR1POLB
SCHEMBL14699099 0.81 HRH3 (0.45) SIGMAR1ALDH1A1HRH3HRH4
SCHEMBL1703040 0.78 SIGMAR1 (0.41) MAPTSIGMAR1POLBALDH1A1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2947084-B1 FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO (CN) 2020-09-23 EP disclosed
US-9745320-B2 Five-and-six-membered heterocyclic compound, and preparation method, pharmaceutical composition and use thereof GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2017-08-29 US disclosed
US-9745320-B2 Five-and-six-membered heterocyclic compound, and preparation method, pharmaceutical composition and use thereof GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2017-08-29 US disclosed
CN-102666545-B As the heterocycle Pyrazolopyrimidine analogs of JAK inhibitor CELLZOME LTD. (GB) 2016-04-06 CN disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20150336982-A1 Five-And-Six-Membered Heterocyclic Compound, And Preparation Method, Pharmaceutical Composition And Use Thereof SHANGHAI CHEMEXPLORER CO., LTD. (CN) 2015-11-26 US disclosed
US-20150336982-A1 Five-And-Six-Membered Heterocyclic Compound, And Preparation Method, Pharmaceutical Composition And Use Thereof SHANGHAI CHEMEXPLORER CO., LTD. (CN) 2015-11-26 US disclosed
EP-2947084-A1 FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Chemexplorer Co., Ltd. (CN) 2015-11-25 EP disclosed
WO-2014111037-A1 FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海昀怡健康管理咨询有限公司 (CN) 2014-07-24 WO disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 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 (2 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-20150336982-A1 Five-And-Six-Membered Heterocyclic Compound, And Preparation Method, Pharmaceutical Composition And Use Thereof JAK1, JAK2, JAK3 MAPT 3327/4885KEAP1 1152/4885SMN1; SMN2 3024/4885
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 MAPT 4393/4885KEAP1 1106/4885SMN1; SMN2 4699/4885

“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.