SCHEMBL20939596

SCHEMBL20939596

CN(C)C(=O)C1COc2c(N)cc(Cl)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.39
MAOB P27338 1/20 0.32
ROCK2 O75116 3/20 0.32
ROCK1 Q13464 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 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
SCHEMBL20939376 0.85 MAP3K14 (0.40) MAP3K14MAOBROCK2ROCK1
SCHEMBL20939732 0.76 HTR7 (0.43) MAP3K14
SCHEMBL20939746 0.76 ROCK2 (0.47) MAOBROCK2ROCK1
SCHEMBL31121487 0.64 ROCK2 (0.48) MAOBROCK2ROCK1
SCHEMBL17738257 0.62 CYP46A1 (0.43)
SCHEMBL4107808 0.62 PARP1 (0.39)
SCHEMBL30695888 0.62 PARP1 (0.39)
SCHEMBL20939382 0.60 HTR7 (0.47) MAP3K14
SCHEMBL19417742 0.60 HSD11B1 (0.42)
SCHEMBL7332352 0.59 NOTUM (0.38)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-30 US disclosed
US-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 US disclosed
EP-3478673-B1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-16 EP disclosed
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-04-25 US 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 (3 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-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS MAP3K14, NFKBIA, MAP3K15 MAP3K14 1/4885MAOB 3216/4885ROCK2 1038/4885
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB MAP3K14 6/4885MAOB 2998/4885ROCK2 2395/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 MAP3K14 1/4885MAOB 3216/4885ROCK2 1038/4885

“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.