SCHEMBL4295593

SCHEMBL4295593

CN(C(=O)OC(C)(C)C)c1cc2cc(Br)ccc2cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 3/20 0.42
TTK P33981 1/20 0.41
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AAK1 Q2M2I8 2/20 0.36
PAX8 Q06710 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
ABL1 P00519 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
POLB P06746 1/20 0.33
GSK3A P49840 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
EGFR P00533 1/20 0.32
SSTR4 P31391 1/20 0.32
SOS1 Q07889 1/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL30015947 0.88 NCEH1 (0.40) NCEH1TTKLMNAL3MBTL1AAK1
SCHEMBL29134506 0.88 NCEH1 (0.40) NCEH1TTKLMNAL3MBTL1AAK1
SCHEMBL3633134 0.84 PAX8 (0.43) NCEH1TTKPAX8SSTR4
SCHEMBL29827507 0.84 GBA1 (0.42) NCEH1TTKAAK1PAX8SSTR4
SCHEMBL1181429 0.84 GBA1 (0.42) NCEH1TTKAAK1PAX8SSTR4
SCHEMBL4300243 0.81 NCEH1 (0.41) NCEH1LMNAL3MBTL1ABL1POLB
SCHEMBL31649564 0.80 TTK (0.35) TTKPAX8SSTR4
SCHEMBL12678539 0.80 SSTR4 (0.40) NCEH1AAK1PAX8PTGDR2SSTR4
SCHEMBL29580743 0.80 SSTR4 (0.40) NCEH1AAK1PAX8PTGDR2SSTR4
SCHEMBL8232361 0.79 NCEH1 (0.40) NCEH1TTKLMNAL3MBTL1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981884-B1 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS AMGEN INC (US) 2012-06-13 EP disclosed
US-8084479-B2 Thiazole compounds and methods of use AMGEN INC. (US) 2011-12-27 US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 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 (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-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 NCEH1 1619/4885TTK 138/4885LMNA 1862/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 NCEH1 1084/4885TTK 289/4885LMNA 3104/4885

“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.