SCHEMBL807133

SCHEMBL807133

CC(C)(C)OC(=O)N1CCN(c2ccccc2NC(=O)c2csc(Br)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.59
PIM1 P11309 1/20 0.53
PIM3 Q86V86 1/20 0.53
CHEK1 O14757 13/20 0.51
MAPK8 P45983 1/20 0.49
ACKR3 P25106 1/20 0.48

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
SCHEMBL14218022 0.89 BACE1 (0.54) BACE1PIM1PIM3CHEK1ACKR3
SCHEMBL2849949 0.87 PIM1 (0.55) BACE1PIM1PIM3CHEK1
SCHEMBL16519627 0.87 BACE1 (0.59) BACE1PIM1PIM3MAPK8ACKR3
SCHEMBL13156293 0.87 BACE1 (0.58) BACE1CHEK1MAPK8ACKR3
SCHEMBL3953272 0.85 CHEK1 (0.58) PIM1PIM3CHEK1
SCHEMBL28784747 0.85 PIM1 (0.52) PIM1PIM3CHEK1
SCHEMBL2077918 0.85 CHEK1 (0.53) BACE1PIM1PIM3CHEK1
SCHEMBL14207012 0.85 CHEK1 (0.69) BACE1CHEK1ACKR3
SCHEMBL13156717 0.85 BACE1 (0.47) BACE1PIM1PIM3CHEK1MAPK8
SCHEMBL13156288 0.84 PIM1 (0.57) BACE1PIM1PIM3CHEK1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078003-B1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2017-03-08 EP disclosed
EP-2078003-B1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2017-03-08 EP disclosed
US-9206142-B2 Anilinopiperazine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-9206142-B2 Anilinopiperazine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-9206142-B2 Anilinopiperazine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
EP-2078004-B1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2015-02-25 EP disclosed
EP-2078002-B1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2013-08-28 EP disclosed
EP-2078002-B1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2013-08-28 EP disclosed
US-20130165450-A1 Novel Thiazol-Carboximide Derivatives as PDK1 Inhibitors TSUI HON-CHUNG (CN) 2013-06-27 US disclosed
US-20130165450-A1 Novel Thiazol-Carboximide Derivatives as PDK1 Inhibitors TSUI HON-CHUNG (CN) 2013-06-27 US disclosed
US-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
EP-2078002-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2009-07-15 EP disclosed
EP-2078003-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-07-15 EP disclosed
EP-2078004-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2009-07-15 EP disclosed
WO-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 WO disclosed
WO-2008054749-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-05-08 WO disclosed
WO-2008054702-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-08 WO disclosed
WO-2008054702-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-08 WO disclosed
WO-2008054701-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-05-08 WO disclosed
WO-2008054701-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-05-08 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-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 BACE1 1460/4885PIM1 1445/4885PIM3 1645/4885
US-20130165450-A1 Novel Thiazol-Carboximide Derivatives as PDK1 Inhibitors PDK1, PDPK1, PDK2 BACE1 3320/4885PIM1 36/4885PIM3 63/4885

“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.