SCHEMBL20123031

SCHEMBL20123031

FC(F)(F)Cn1c2cnccc2c2cc(Cl)cc(-c3cnn(CC4CC4)c3)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.41
KCNH2 Q12809 1/20 0.41
NFATC1 O95644 1/20 0.37
GSK3B P49841 1/20 0.37
ROCK2 O75116 3/20 0.35
CREBBP Q92793 1/20 0.34
PDK2 Q15119 3/20 0.34
MAT2A P31153 1/20 0.34
METAP2 P50579 2/20 0.33
PIM1 P11309 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
PRPS1 P60891 2/20 0.32

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
SCHEMBL30664309 1.00 DYRK1A (0.41) DYRK1AKCNH2NFATC1GSK3BROCK2
SCHEMBL30664198 0.87 PDK2 (0.37) KCNH2ROCK2PDK2MAT2AMETAP2
SCHEMBL20122929 0.87 PDK2 (0.37) KCNH2ROCK2PDK2MAT2AMETAP2
SCHEMBL20122907 0.86 CYP3A4 (0.38) DYRK1AKCNH2NFATC1GSK3BROCK2
SCHEMBL30664300 0.86 CYP3A4 (0.38) DYRK1AKCNH2NFATC1GSK3BROCK2
SCHEMBL20122883 0.85 PDK2 (0.47) ROCK2PDK2METAP2AXLTYRO3
SCHEMBL29756350 0.85 PDK2 (0.47) ROCK2PDK2METAP2AXLTYRO3
SCHEMBL30664148 0.85 PDK2 (0.37) ROCK2PDK2MAT2AMETAP2PRPS1
SCHEMBL20123013 0.85 PDK2 (0.37) ROCK2PDK2MAT2AMETAP2PRPS1
SCHEMBL20122996 0.85 PDK2 (0.41) DYRK1AKCNH2NFATC1GSK3BROCK2

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 8 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
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-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-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 493/4885KCNH2 3028/4885NFATC1 1647/4885
US-11130755-B2 Substituted pyrido[3,4-b]indoles for the treatment of cartilage disorders COL2A1, IDO1, COL1A1 DYRK1A 493/4885KCNH2 3028/4885NFATC1 1647/4885

“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.