Sugi Predict

Sugi Predict / Compounds / SCHEMBL20325421

SCHEMBL20325421

SCHEMBL20325421

COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCOCCOCCOCCOCCOCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.72
▸ HDAC3 O15379 6/20 0.72
▸ HDAC4 P56524 6/20 0.72
▸ HDAC1 Q13547 6/20 0.72
▸ HDAC7 Q8WUI4 6/20 0.72
▸ HDAC2 Q92769 6/20 0.72
▸ HDAC10 Q969S8 6/20 0.72
▸ HDAC11 Q96DB2 6/20 0.72
▸ HDAC8 Q9BY41 6/20 0.72
▸ HDAC6 Q9UBN7 6/20 0.72
▸ HDAC9 Q9UKV0 6/20 0.72
▸ HDAC5 Q9UQL6 6/20 0.72
▸ EGFR P00533 8/20 0.70
▸ FBP1 P09467 3/20 0.70
▸ KDM4E B2RXH2 2/20 0.70
▸ MAPT P10636 2/20 0.70
▸ MAPK1 P28482 2/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ GMNN O75496 1/20 0.70
▸ ALDH1A1 P00352 1/20 0.70

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
SCHEMBL20305795 0.88 EGFR (0.74) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL8258194 0.84 EGFR (0.83) KDRHDAC3HDAC4HDAC1HDAC7
Tyrphostin Ag-1478 SCHEMBL31079458 0.83 EGFR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
Tyrphostin Ag-1478 SCHEMBL29483198 0.83 EGFR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
Tyrphostin Ag-1478 SCHEMBL93838 0.83 EGFR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
Tyrphostin Ag-1478 SCHEMBL29350062 0.83 EGFR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
Tyrphostin Ag-1478 SCHEMBL5477838 0.82 EGFR (1.00) KDREGFRFBP1KDM4EMAPT
Tyrphostin Ag-1478 SCHEMBL31466723 0.82 EGFR (1.00) KDREGFRFBP1KDM4EMAPT
Tyrphostin Ag-1478 SCHEMBL30362802 0.82 EGFR (1.00) KDREGFRFBP1KDM4EMAPT
SCHEMBL5911530 0.82 EGFR (0.80) KDRHDAC3HDAC4HDAC1HDAC7

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-20210220475-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-07-22 — — US disclosed
US-10994015-B2 EGFR proteolysis targeting chimeric molecules and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-05-04 — — US disclosed
WO-2018119441-A9 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2019-10-10 — — WO disclosed
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-07-12 — — US disclosed
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-07-12 — — US disclosed
WO-2018119441-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-28 — — 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-10994015-B2 EGFR proteolysis targeting chimeric molecules and associated methods of use EGFR, ERBB2, ERBB3 KDR 60/4885HDAC3 3241/4885HDAC4 3936/4885
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE EGFR, ERBB2, ERBB3 KDR 60/4885HDAC3 3241/4885HDAC4 3936/4885
US-20210220475-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE TBK1, EGFR, CBL KDR 241/4885HDAC3 2798/4885HDAC4 3520/4885

“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.