SCHEMBL2561425

SCHEMBL2561425

Nc1ncc(-c2ccc(F)cc2)cc1C=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.51
FYN P06241 2/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CHRNA7 P36544 1/20 0.40
USP7 Q93009 1/20 0.40
POLB P06746 1/20 0.39
ERN1 O75460 2/20 0.39
CHEK2 O96017 1/20 0.39
GSK3B P49841 2/20 0.38
VRK2 Q86Y07 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38

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
SCHEMBL18615838 0.85 MAP4K4 (0.51) MAP4K4FYNMAPTUSP7CHEK2
SCHEMBL2556015 0.84 CHEK2 (0.52) MAP4K4FYNMAPTCHEK2PDGFRB
SCHEMBL14276837 0.83 MAP4K4 (0.49) MAP4K4FYNMAPTUSP7CHEK2
SCHEMBL29955261 0.83 MAP4K4 (0.49) MAP4K4FYNMAPTUSP7CHEK2
SCHEMBL2560884 0.83 MAP4K4 (0.54) MAP4K4USP7
SCHEMBL29954696 0.81 ERN1 (0.51) MAP4K4FYNERN1CHEK2PDGFRB
SCHEMBL5126305 0.80 MAP4K4 (0.54) MAP4K4FYNALDH1A1CHRNA7ERN1
SCHEMBL2557668 0.79 CA12 (0.47) MAP4K4
SCHEMBL124004 0.78 ERN1 (0.39) MAP4K4ALDH1A1ERN1CHEK2
SCHEMBL31056338 0.78 ERN1 (0.39) MAP4K4ALDH1A1ERN1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-7329678-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-12 US disclosed
US-7329678-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-12 US disclosed
US-7329678-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-12 US disclosed
EP-1590339-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP disclosed
US-20060148854-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-07-06 US disclosed
EP-1590339-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-11-02 EP disclosed
WO-2004069160-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-08-19 WO disclosed
WO-2004069160-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-08-19 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 (1 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-20060148854-A1 Chemical compounds SGK1, SGK2, SGK3 MAP4K4 31/4885FYN 787/4885HDAC1 733/4885

“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.