SCHEMBL20122784

SCHEMBL20122784

CCn1c2c(-c3ccc(OCCN(C(C)C)C(C)C)cc3)cc(Cl)cc2c2ccnc(C)c21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.42
ACHE P22303 2/20 0.41
ESR1 P03372 1/20 0.40
AAK1 Q2M2I8 4/20 0.40
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HASPIN Q8TF76 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
LTA4H P09960 1/20 0.35
MCHR1 Q99705 1/20 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
SCHEMBL29756445 1.00 DYRK1A (0.42) DYRK1AACHEESR1AAK1HTR2A
Hydrochloric Acid SCHEMBL29756375 0.99 DYRK1A (0.41) DYRK1AACHEESR1AAK1HTR2A
SCHEMBL29756366 0.85 DYRK1A (0.46) DYRK1AACHEAAK1HTR2AHTR2C
SCHEMBL20122716 0.85 DYRK1A (0.46) DYRK1AACHEAAK1HTR2AHTR2C
SCHEMBL30664315 0.83 DYRK1A (0.58) DYRK1AACHEHTR2AHTR2CHASPIN
SCHEMBL20123007 0.83 DYRK1A (0.58) DYRK1AACHEHTR2AHTR2CHASPIN
SCHEMBL20123023 0.82 DYRK1A (0.45) DYRK1AACHEAAK1HTR2AHTR2C
SCHEMBL29756351 0.82 DYRK1A (0.45) DYRK1AACHEAAK1HTR2AHTR2C
SCHEMBL30664307 0.81 DYRK1A (0.47) DYRK1AACHEAAK1HTR2AHTR2C
SCHEMBL20123000 0.81 DYRK1A (0.47) DYRK1AACHEAAK1HTR2AHTR2C

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 DYRK1A 493/4885ACHE 2558/4885ESR1 3711/4885
US-11130755-B2 Substituted pyrido[3,4-b]indoles for the treatment of cartilage disorders COL2A1, IDO1, COL1A1 DYRK1A 493/4885ACHE 2558/4885ESR1 3711/4885

“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.