SCHEMBL23905035

SCHEMBL23905035

COc1ncc(-c2ccc(C=O)cc2)nc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.45
ALDH1A1 P00352 7/20 0.43
CYP2A6 P11509 1/20 0.43
MAPT P10636 3/20 0.38
SQOR Q9Y6N5 2/20 0.37
CHEK1 O14757 1/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
IKBKB O14920 1/20 0.36
HPGD P15428 1/20 0.36
XDH P47989 1/20 0.36
LIG1 P18858 1/20 0.36
TSHR P16473 1/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL29131667 0.78 SQOR (0.59) ALDH1A1MAPTSQORGAAKDM4E
SCHEMBL30505741 0.78 SQOR (0.59) ALDH1A1MAPTSQORGAAKDM4E
SCHEMBL23905108 0.75 KMT2A (0.65) BRAFALDH1A1CYP2A6MAPTGAA
SCHEMBL31683812 0.74 CYP11B1 (0.47) ALDH1A1CYP2A6KDM4ESMN1; SMN2DRD2
SCHEMBL23905042 0.73 ALDH1A1 (0.47) BRAFALDH1A1CYP2A6MAPTGAA
SCHEMBL28625719 0.73 ALDH1A1 (0.54) ALDH1A1CYP2A6MAPTCHEK1KDM4E
SCHEMBL8029455 0.72 ALDH1A1 (0.58) BRAFALDH1A1CYP2A6MAPTKDM4E
SCHEMBL23905038 0.71 ALDH1A1 (0.51) BRAFALDH1A1CYP2A6MAPTHPGD
SCHEMBL22042684 0.70 ALDH1A1 (0.46) BRAFALDH1A1CYP2A6MAPTGAA
SCHEMBL31092640 0.70 ALDH1A1 (0.46) BRAFALDH1A1CYP2A6MAPTGAA

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
US-12528822-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-01-20 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 BRAF 1837/4885ALDH1A1 3327/4885CYP2A6 4166/4885
US-12060365-B2 Cycloalkane-1,3-diamine derivative MLLT1, MEN1, MLLT3 BRAF 1837/4885ALDH1A1 3327/4885CYP2A6 4166/4885
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 BRAF 1837/4885ALDH1A1 3327/4885CYP2A6 4166/4885
US-12528822-B2 Cycloalkane-1,3-diamine derivative MLLT1, MLLT3, PRMT6 BRAF 1944/4885ALDH1A1 3230/4885CYP2A6 2478/4885
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 BRAF 1837/4885ALDH1A1 3327/4885CYP2A6 4166/4885

“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.