SCHEMBL2849949

SCHEMBL2849949

CC(C)(C)OC(=O)N1CCN(c2ccncc2NC(=O)c2csc(Br)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.55
PIM3 Q86V86 6/20 0.55
BACE1 P56817 3/20 0.52
CHEK1 O14757 10/20 0.49
PIM2 Q9P1W9 5/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
JAK2 O60674 1/20 0.45
ROCK2 O75116 1/20 0.45
IGF1R P08069 1/20 0.45
MAPK1 P28482 1/20 0.45
AKT1 P31749 1/20 0.45
RPS6KA3 P51812 1/20 0.45
NEK2 P51955 1/20 0.45
STK3 Q13188 1/20 0.45
CAMK4 Q16566 1/20 0.45
TSSK2 Q96PF2 1/20 0.45

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
SCHEMBL13156288 0.96 PIM1 (0.57) PIM1PIM3BACE1CHEK1PIM2
SCHEMBL13156857 0.91 PIM1 (0.55) PIM1PIM3BACE1CHEK1PIM2
SCHEMBL13156291 0.90 PIM1 (0.56) PIM1PIM3BACE1CHEK1PIM2
SCHEMBL14216463 0.90 PIM1 (0.55) PIM1PIM3BACE1CHEK1PIM2
SCHEMBL12550556 0.90 PIM1 (0.55) PIM1PIM3BACE1CHEK1PIM2
SCHEMBL13156834 0.89 PIM1 (0.51) PIM1PIM3BACE1CHEK1PIM2
SCHEMBL13156366 0.88 PIM1 (0.60) PIM1PIM3BACE1CHEK1PIM2
SCHEMBL807133 0.87 BACE1 (0.59) PIM1PIM3BACE1CHEK1
SCHEMBL13156678 0.87 PIM1 (0.50) PIM1PIM3CHEK1PIM2
SCHEMBL13156681 0.87 PIM1 (0.50) PIM1PIM3CHEK1PIM2

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 24 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
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-2078004-B1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2015-02-25 EP disclosed
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2012-12-27 US disclosed
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2012-12-27 US disclosed
US-8318735-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-8318735-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-8318735-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-05-27 US disclosed
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-05-27 US disclosed
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-05-27 US disclosed
EP-2182986-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2010-05-12 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-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-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

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-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 PIM1 1445/4885PIM3 1645/4885BACE1 1460/4885
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MAPK15, CDK15, MAPKAPK5 PIM1 2719/4885PIM3 2561/4885BACE1 490/4885

“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.