Sugi Predict

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SCHEMBL2636865

SCHEMBL2636865

CC(C)(C)OC(=O)N(C(=O)O)c1ncc(Br)cc1C#C[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.35
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.30
▸ UCHL1 P09936 1/20 0.30
▸ PDPK1 O15530 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
SCHEMBL2636962 0.94 GABRA1 (0.36) BACE1GABRA1GABRG2GABRB3GABRA5
SCHEMBL2636301 0.85 BACE1 (0.35) BACE1GABRA1GABRG2GABRB3GABRA5
SCHEMBL404176 0.81 AAK1 (0.41) BACE1AAK1PDPK1
SCHEMBL14829156 0.80 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25365912 0.79 AAK1 (0.41) BACE1AAK1PDPK1
SCHEMBL2637386 0.78 AAK1 (0.35) BACE1GABRA1GABRG2GABRB3GABRA5
SCHEMBL17034514 0.78 PDPK1 (0.36) BACE1AAK1PDPK1
SCHEMBL22235309 0.77 BACE1 (0.36) BACE1AAK1
SCHEMBL13940212 0.75 BACE1 (0.35) BACE1AAK1
SCHEMBL12184117 0.74 USP30 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150239874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-08-27 — — US disclosed
US-9096584-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-08-04 — — US disclosed
EP-2569284-B1 2-AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2015-07-08 — — EP disclosed
EP-2569284-A1 2 -AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 — — EP disclosed
US-20120177748-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 — — US disclosed
WO-2011143422-A1 2 -AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 — — WO disclosed
WO-2011143422-A1 2 -AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 — — 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 (2 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-20150239874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K20 BACE1 2960/4885GABRA1 3950/4885GABRG2 3898/4885
US-20120177748-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K20 BACE1 2960/4885GABRA1 3950/4885GABRG2 3898/4885

“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.