SCHEMBL21995567

SCHEMBL21995567

C[S+]([O-])c1ncc(-c2ccc(N)nc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.48
MAP4K4 O95819 2/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
LTA4H P09960 1/20 0.41
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
CYP1A2 P05177 1/20 0.39
KCNH2 Q12809 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
TNIK Q9UKE5 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
ATM Q13315 1/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL31674513 1.00 PIK3CD (0.48) PIK3CDMAP4K4MKNK1MKNK2LTA4H
SCHEMBL29740321 0.77 PIK3CD (0.73) PIK3CDMAP4K4MKNK1MKNK2LTA4H
SCHEMBL1257460 0.77 PIK3CD (0.73) PIK3CDMAP4K4MKNK1MKNK2LTA4H
SCHEMBL765854 0.75
SCHEMBL30337416 0.75 PIK3CD (0.70) PIK3CDMAP4K4MKNK1MKNK2LTA4H
SCHEMBL31674529 0.74 RAB9A (0.40) PIK3CDMAP4K4MKNK1MKNK2LTA4H
SCHEMBL21995505 0.74 RAB9A (0.40) PIK3CDMAP4K4MKNK1MKNK2LTA4H
SCHEMBL11476940 0.72 NOS3 (0.46) PIK3CDMAP4K4MKNK1MKNK2LTA4H
SCHEMBL12864338 0.70 NOS3 (0.67) PIK3CDMAP4K4MKNK1MKNK2LTA4H
SCHEMBL11065380 0.70 PIK3CD (0.57) PIK3CDMAP4K4MKNK1MKNK2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304558-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-10-02 US disclosed
US-12391674-B2 Heterocyclic compounds for the treatment of epilepsy OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-08-19 US disclosed
US-20210403456-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-12-30 US disclosed
US-20210403456-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-12-30 US disclosed
EP-3887358-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY Otsuka Pharmaceutical Co., Ltd. (JP) 2021-10-06 EP disclosed
CN-113166076-A Heterocyclic compounds for the treatment of epilepsy 大塚制药株式会社 2021-07-23 CN disclosed
WO-2020111263-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-06-04 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 (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-12391674-B2 Heterocyclic compounds for the treatment of epilepsy SLC6A11, SCN1A, SCN1B PIK3CD 3693/4885MAP4K4 1943/4885MKNK1 2110/4885
US-20210403456-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY SLC6A11, SCN1A, SCN1B PIK3CD 3693/4885MAP4K4 1943/4885MKNK1 2110/4885
US-20250304558-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY SLC6A11, SCN1A, KCNH1 PIK3CD 3524/4885MAP4K4 2154/4885MKNK1 2506/4885

“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.