SCHEMBL20122722

SCHEMBL20122722

Cc1nccc2c3cc(Cl)cc(Br)c3n(CC3CC3)c12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GRM2 Q14416 1/20 0.38
DYRK1A Q13627 8/20 0.36
HASPIN Q8TF76 7/20 0.36
DYRK2 Q92630 3/20 0.36
CRHR1 P34998 1/20 0.35
PTGER4 P35408 1/20 0.34
ACHE P22303 2/20 0.34
MAOA P21397 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL20122700 0.84 DYRK1A (0.48) DYRK1AHASPINDYRK2ACHEMAOA
SCHEMBL30664207 0.81 CRHR1 (0.42) CRHR1
SCHEMBL20122950 0.81 CRHR1 (0.42) CRHR1
SCHEMBL30664292 0.80 BRD4 (0.37) HDAC1HDAC6DYRK1AHASPINDYRK2
SCHEMBL30664241 0.80 BCL6 (0.35) HDAC1HDAC6GRM2DYRK1AHASPIN
SCHEMBL20122937 0.80 BRD4 (0.37) HDAC1HDAC6DYRK1AHASPINDYRK2
SCHEMBL20123041 0.80 BCL6 (0.35) HDAC1HDAC6GRM2DYRK1AHASPIN
SCHEMBL22474564 0.79 CRHR1 (0.37) HDAC1HDAC6DYRK1AHASPINDYRK2
SCHEMBL20123079 0.79 HDAC1 (0.35) HDAC1HDAC6DYRK1AHASPINDYRK2
SCHEMBL30664216 0.79 CRHR1 (0.37) HDAC1HDAC6DYRK1AHASPINDYRK2

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-11827633-B2 Substituted pyrido[3,4-b]indoles for the treatment of cartilage disorders SANOFI (FR) 2023-11-28 US disclosed
US-11827633-B2 Substituted pyrido[3,4-b]indoles for the treatment of cartilage disorders SANOFI (FR) 2023-11-28 US disclosed
CN-110382496-B Substituted pyrido [3,4-b ] indoles for the treatment of cartilage disorders 赛诺菲 2022-08-09 CN disclosed
US-11130755-B2 Substituted pyrido[3,4-b]indoles for the treatment of cartilage disorders SANOFI (FR) 2021-09-28 US disclosed
EP-3792262-A1 SUBSTITUTED PYRIDO[3,4-B]INDOLES FOR THE TREATMENT OF CARTILAGE DISORDERS SANOFI (FR) 2021-03-17 EP disclosed
EP-3535263-B1 SUBSTITUTED PYRIDO[3,4-B]INDOLES FOR THE TREATMENT OF CARTILAGE DISORDERS SANOFI SA (FR) 2020-09-30 EP disclosed
EP-3318563-A1 SUBSTITUTED PYRIDO[3,4-B]INDOLES FOR THE TREATMENT OF CARTILAGE DISORDERS SANOFI (FR) 2018-05-09 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 (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-11827633-B2 Substituted pyrido[3,4-b]indoles for the treatment of cartilage disorders COL2A1, IDO1, COL1A1 HDAC1 3426/4885HDAC6 2798/4885GRM2 2898/4885
US-11130755-B2 Substituted pyrido[3,4-b]indoles for the treatment of cartilage disorders COL2A1, IDO1, COL1A1 HDAC1 3426/4885HDAC6 2798/4885GRM2 2898/4885

“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.