SCHEMBL22084643

SCHEMBL22084643

COc1cncc(-c2ccc(CN)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.59
MKNK2 Q9HBH9 1/20 0.59
CYP11B1 P15538 10/20 0.57
CYP11B2 P19099 10/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
PRMT5 O14744 1/20 0.52
WDR77 Q9BQA1 1/20 0.52
MAOB P27338 3/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
CYP2A6 P11509 1/20 0.49
MAP4K4 O95819 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
BACE1 P56817 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL486081 0.85 CYP11B1 (0.58) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL25366032 0.83 CYP11B1 (0.60) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL9413191 0.83 CYP11B1 (0.56) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL30516647 0.83 CYP11B1 (0.60) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL21960161 0.82 CYP11B1 (0.73) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL21044298 0.81 MKNK1 (0.64) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL24226868 0.81 CYP11B1 (0.54) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL5702666 0.80 CYP1A1 (0.74) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL15296276 0.79 CYP11B1 (0.64) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL2681872 0.78 CYP11B1 (0.45) MKNK1MKNK2CYP11B1CYP11B2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-02 US disclosed
EP-3892278-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-10-13 EP disclosed
WO-2020116662-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE 第一三共株式会社 2020-06-11 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-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 MKNK1 121/4885MKNK2 154/4885CYP11B1 2061/4885
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 MKNK1 121/4885MKNK2 154/4885CYP11B1 2061/4885

“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.