SCHEMBL20122804

SCHEMBL20122804

CC(=O)OCCn1cc(-c2cc(Cl)cc3c4ccncc4n(CC(F)(F)F)c23)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.37
MET P08581 1/20 0.37
PDK2 Q15119 5/20 0.36
F11 P03951 3/20 0.35
KLKB1 P03952 3/20 0.35
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
METAP2 P50579 4/20 0.34
SYK P43405 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 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
SCHEMBL30664157 1.00 ROCK2 (0.37) ROCK2METPDK2F11KLKB1
SCHEMBL30664323 0.89 NFATC1 (0.41) ROCK2PDK2F11KLKB1IKBKE
SCHEMBL20122776 0.89 NFATC1 (0.41) ROCK2PDK2F11KLKB1IKBKE
SCHEMBL29756350 0.86 PDK2 (0.47) ROCK2PDK2METAP2AXLTYRO3
SCHEMBL20122883 0.86 PDK2 (0.47) ROCK2PDK2METAP2AXLTYRO3
SCHEMBL30664148 0.86 PDK2 (0.37) ROCK2PDK2METAP2AXLTYRO3
SCHEMBL20123013 0.86 PDK2 (0.37) ROCK2PDK2METAP2AXLTYRO3
SCHEMBL28810825 0.85 PDK2 (0.37) ROCK2PDK2F11KLKB1METAP2
SCHEMBL30664198 0.84 PDK2 (0.37) ROCK2PDK2METAP2
SCHEMBL20122929 0.84 PDK2 (0.37) ROCK2PDK2METAP2

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 ROCK2 1093/4885MET 1001/4885PDK2 924/4885
US-11130755-B2 Substituted pyrido[3,4-b]indoles for the treatment of cartilage disorders COL2A1, IDO1, COL1A1 ROCK2 1093/4885MET 1001/4885PDK2 924/4885

“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.