SCHEMBL21373575

SCHEMBL21373575

[CH]1CN(c2ccc3[nH]cnc3c2)CCS1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
IP6K1 Q92551 8/20 0.38
IP6K3 Q96PC2 4/20 0.38
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAP3K8 P41279 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IP6K2 Q9UHH9 1/20 0.32
QPCT Q16769 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL1444275 0.77 IP6K1 (0.59) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL23122450 0.76 IP6K1 (0.60) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL23122757 0.74 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL23123124 0.74 GAA (0.58) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL21373625 0.73 IP6K1 (0.32) IP6K1IP6K3
SCHEMBL21373567 0.72 ALDH1A1 (0.32) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL21373563 0.72 ALDH1A1 (0.32) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL21373551 0.69 NOS1 (0.41) PIK3CAKDM4EALDH1A1MAPT
SCHEMBL21373482 0.69 QPCT (0.40) IP6K1QPCT
SCHEMBL13076278 0.69 IP6K1 (0.41) PIK3CDPIK3CAPIK3CBIP6K1IP6K3

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
EP-3768673-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH Zurich (CH) 2021-01-27 EP claimed
WO-2019179890-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH ZURICH (CH) 2019-09-26 WO claimed
EP-3543231-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH Zurich (CH) 2019-09-25 EP claimed
EP-3568133-B1 CELL-PROTECTIVE COMPOUNDS AND THEIR USE ETH ZUERICH (CH) 2023-12-13 EP disclosed
CN-116462666-A Cytoprotective compounds and uses thereof 瑞士苏黎世联邦理工学院 2023-07-21 CN disclosed
US-11628159-B2 Cell-protective compounds and their use ETH ZURICH (CH) 2023-04-18 US disclosed
EP-3768673-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH Zurich (CH) 2021-01-27 EP disclosed
US-20210015793-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH ZURICH (CH) 2021-01-21 US disclosed
US-20190343802-A1 CELL-PROTECTIVE COMPOUNDS AND THEIR USE ETH Zürich (CH) 2019-11-14 US disclosed
WO-2019179890-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH ZURICH (CH) 2019-09-26 WO disclosed
EP-3543231-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH Zurich (CH) 2019-09-25 EP 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-20190343802-A1 CELL-PROTECTIVE COMPOUNDS AND THEIR USE SRPK2, SRSF2, SRPK1 PIK3CD 916/4885PIK3CA 1900/4885PIK3CB 753/4885
US-20210015793-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES PPT1, SPTLC1, LPCAT1 PIK3CD 4146/4885PIK3CA 4026/4885PIK3CB 3368/4885
US-11628159-B2 Cell-protective compounds and their use SRPK2, SRSF2, SRPK1 PIK3CD 916/4885PIK3CA 1900/4885PIK3CB 753/4885

“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.