SCHEMBL20939870

SCHEMBL20939870

O=C(Nc1ccc2c(c1Br)CCN(C1COC1)C2)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 7/20 0.36
ATR Q13535 8/20 0.34
SLC18A3 Q16572 1/20 0.34
HDAC2 Q92769 2/20 0.32
HDAC1 Q13547 1/20 0.32
ADRA2A P08913 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 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
SCHEMBL20704219 0.77 CNR1 (0.41)
SCHEMBL20939670 0.73 HDAC2 (0.32) RBP4ATRHDAC2
SCHEMBL20939628 0.72 ESR2 (0.49) HDAC1
SCHEMBL20939768 0.69 APEX1 (0.40) ADRA2A
SCHEMBL25833035 0.63 STS (0.40)
SCHEMBL25833033 0.63 NPY5R (0.40)
SCHEMBL18376163 0.62 GUCY1B2 (0.38)
SCHEMBL12177843 0.62 ACVR1 (0.38)
SCHEMBL25128558 0.62 ANO1 (0.34) ADRA2A
SCHEMBL23066177 0.62 C5AR1 (0.37) RBP4

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 RBP4 3735/4885ATR 687/4885SLC18A3 4045/4885
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB RBP4 3147/4885ATR 462/4885SLC18A3 4433/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 RBP4 3735/4885ATR 687/4885SLC18A3 4045/4885

“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.