SCHEMBL20122882

SCHEMBL20122882

CCn1c2c(-c3cnn(CC4OCCO4)c3)cc(Cl)cc2c2ccnc(C)c21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 4/20 0.43
FAAH O00519 1/20 0.36
DYRK1A Q13627 1/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
ATR Q13535 2/20 0.34
ATRIP Q8WXE1 2/20 0.34
HASPIN Q8TF76 2/20 0.32
DYRK2 Q92630 2/20 0.32
HCRTR1 O43613 4/20 0.32
HCRTR2 O43614 4/20 0.32
ACHE P22303 1/20 0.31
AAK1 Q2M2I8 2/20 0.31
LRRK2 Q5S007 1/20 0.31
ACVR1 Q04771 1/20 0.31

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
SCHEMBL30664271 1.00 PRPS1 (0.43) PRPS1FAAHDYRK1AIKBKETBK1
Trifluoroacetic Acid SCHEMBL21326143 0.93 PRPS1 (0.39) PRPS1FAAHIKBKETBK1HCRTR1
Trifluoroacetic Acid SCHEMBL29756379 0.93 PRPS1 (0.39) PRPS1FAAHIKBKETBK1HCRTR1
SCHEMBL20122758 0.85 PDK2 (0.42) DYRK1AATRATRIPHASPINDYRK2
SCHEMBL20122975 0.84 DYRK1A (0.34) DYRK1AHASPINDYRK2AAK1LRRK2
SCHEMBL30664285 0.83 DYRK1A (0.41) DYRK1AHASPINDYRK2AAK1LRRK2
SCHEMBL20122935 0.83 DYRK1A (0.41) DYRK1AHASPINDYRK2AAK1LRRK2
SCHEMBL20122973 0.82 CREBBP (0.43) DYRK1A
SCHEMBL30664313 0.82 CREBBP (0.43) DYRK1A
SCHEMBL20123058 0.81 DYRK1A (0.36) PRPS1DYRK1AHASPINDYRK2AAK1

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 6 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-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 PRPS1 2010/4885FAAH 2796/4885DYRK1A 493/4885
US-11130755-B2 Substituted pyrido[3,4-b]indoles for the treatment of cartilage disorders COL2A1, IDO1, COL1A1 PRPS1 2010/4885FAAH 2796/4885DYRK1A 493/4885

“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.