SCHEMBL16205589

SCHEMBL16205589

Cc1nc(Br)cc2c(B3OC(C)(C)C(C)(C)O3)cn(C(=O)OC(C)(C)C)c12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ USP30 Q70CQ3 2/20 0.34
▸ AAK1 Q2M2I8 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.30
▸ HSP90AB1 P08238 1/20 0.30
▸ PIK3R1 P27986 1/20 0.30
▸ PIK3CA P42336 1/20 0.30

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
SCHEMBL16205575 0.89 USP30 (0.33) PRMT5WDR77USP30AAK1HSP90AA1
SCHEMBL16205574 0.85 USP30 (0.35) USP30
SCHEMBL20689530 0.81 USP30 (0.33) PRMT5WDR77USP30
SCHEMBL16205558 0.80 USP30 (0.36) PRMT5WDR77USP30AAK1
SCHEMBL25174282 0.78 BACE1 (0.33) PRMT5WDR77USP30
SCHEMBL30369811 0.78 BACE1 (0.33) PRMT5WDR77USP30
SCHEMBL25593260 0.78 L3MBTL1 (0.34) PRMT5WDR77USP30AAK1PIK3R1
SCHEMBL25027557 0.76 USP30 (0.30) USP30
SCHEMBL29361211 0.76 USP30 (0.30) USP30
SCHEMBL17179245 0.76 L3MBTL1 (0.37) PRMT5WDR77USP30AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209662-B1 NEW COMPOUNDS AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 — — EP disclosed
US-10005776-B2 Compounds as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 — — US disclosed
US-10005776-B2 Compounds as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 — — US disclosed
US-20170334906-A1 NEW COMPOUNDS AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2017-11-23 — — US disclosed
US-20170334906-A1 NEW COMPOUNDS AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2017-11-23 — — US disclosed
US-9643964-B2 3-(2-aminopyrimidin-4-yl)-5-(3-hydroxypropynyl)-1H-pyrrolo[2,3-C]pyridine derivatives as NIK inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-05-09 — — US disclosed
US-9643964-B2 3-(2-aminopyrimidin-4-yl)-5-(3-hydroxypropynyl)-1H-pyrrolo[2,3-C]pyridine derivatives as NIK inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-05-09 — — US disclosed
US-20160075699-A1 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA N.V. (BE) 2016-03-17 — — US disclosed
WO-2014174021-A1 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2014-10-30 — — WO 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-10005776-B2 Compounds as NIK inhibitors MAP3K14, MAP3K15, MAP3K12 PRMT5 1499/4885WDR77 2642/4885USP30 1817/4885
US-20160075699-A1 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER NFKBIA, IKBKG, MAP3K14 PRMT5 885/4885WDR77 2551/4885USP30 2898/4885
US-20170334906-A1 NEW COMPOUNDS AS NIK INHIBITORS MAP3K14, IKBKG, MAP3K15 PRMT5 1580/4885WDR77 2475/4885USP30 1693/4885

“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.

Send feedback