SCHEMBL16923720

SCHEMBL16923720

CS(=O)(=O)n1ccc2c(Br)cncc21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 9/20 0.46
▸ HTR6 P50406 3/20 0.44
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ ATR Q13535 1/20 0.31
▸ ATRIP Q8WXE1 1/20 0.31

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
SCHEMBL16923788 0.83 HTR6 (0.35) PIK3C3HTR6RAPGEF4
SCHEMBL16916942 0.80 PIK3C3 (0.47) PIK3C3HTR6
SCHEMBL20489067 0.79 CA1 (0.44) PIK3C3HTR6RAPGEF4
SCHEMBL2216316 0.78 HTR6 (0.51) PIK3C3HTR6
SCHEMBL30559967 0.76 HTR6 (0.63) HTR6
SCHEMBL17394039 0.76 HTR6 (0.63) HTR6
SCHEMBL19278216 0.73 ABL1 (0.36) PIK3C3HTR6
SCHEMBL20656340 0.73 NFATC1 (0.36) ATR
SCHEMBL30702049 0.73 NFATC1 (0.36) ATR
SCHEMBL19278211 0.72 HTR6 (0.43) PIK3C3HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528822-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-01-20 — — US disclosed
CN-113164481-B Cycloalkane-1, 3-diamine derivatives 第一三共株式会社 2024-08-30 — — CN disclosed
US-12060365-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-08-13 — — US disclosed
EP-3892278-B1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2024-02-28 — — EP disclosed
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-03-09 — — US disclosed
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-03-09 — — US disclosed
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-02 — — US disclosed
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-02 — — US disclosed
US-11236106-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-02-01 — — US disclosed
US-11236106-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-02-01 — — US disclosed
EP-3892278-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-10-13 — — EP disclosed
EP-3892278-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-10-13 — — EP disclosed
CN-113164481-A Cycloalkane-1, 3-diamine derivatives 第一三共株式会社 2021-07-23 — — CN disclosed
WO-2020116662-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE 第一三共株式会社 2020-06-11 — — WO disclosed
US-10202373-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-02-12 — — US disclosed
US-20160333007-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-17 — — US disclosed
US-20160333007-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-17 — — US disclosed
WO-2015108881-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-23 — — 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 (7 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-11236106-B2 Cycloalkane-1,3-diamine derivative MLLT1, MEN1, MLLT3 PIK3C3 3377/4885HTR6 4401/4885RAPGEF4 3914/4885
US-20160333007-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B PIK3C3 981/4885HTR6 2282/4885RAPGEF4 450/4885
US-10202373-B2 Heteroaryls and uses thereof VPS35, VPS4B, VPS26B PIK3C3 981/4885HTR6 2282/4885RAPGEF4 450/4885
US-12060365-B2 Cycloalkane-1,3-diamine derivative MLLT1, MEN1, MLLT3 PIK3C3 3377/4885HTR6 4401/4885RAPGEF4 3914/4885
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 PIK3C3 3377/4885HTR6 4401/4885RAPGEF4 3914/4885
US-12528822-B2 Cycloalkane-1,3-diamine derivative MLLT1, MLLT3, PRMT6 PIK3C3 2855/4885HTR6 2463/4885RAPGEF4 4326/4885
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 PIK3C3 3377/4885HTR6 4401/4885RAPGEF4 3914/4885

“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.

Send feedback