SCHEMBL3215428

SCHEMBL3215428

COC(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ccccc2N)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.41
PPIA P62937 2/20 0.40
KDM1A O60341 1/20 0.40
ADRA2C P18825 1/20 0.40
KEAP1 Q14145 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 2/20 0.37
GHSR Q92847 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3C2B O00750 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35

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
SCHEMBL3218959 0.89 KDM1A (0.41) DRD2KDM1AADRA2CKEAP1MEN1
SCHEMBL14207167 0.82 KMT2A (0.43) DRD2MEN1GAAKMT2ANPSR1
SCHEMBL21639716 0.78 CYP3A4 (0.37) PPIAPIK3CDPIK3C2B
SCHEMBL20069299 0.78 NPC1 (0.39) DRD2PPIAMEN1USP2KMT2A
SCHEMBL3569131 0.77 ADRA2C (0.47) DRD2ADRA2CKEAP1MEN1USP2
SCHEMBL15217514 0.77 ADRA2C (0.47) ADRA2CKEAP1MEN1USP2GAA
SCHEMBL7578999 0.77 NPFFR1 (0.55) MEN1KMT2AALDH1A1
SCHEMBL23122999 0.76 RET (0.39) DRD2KDM1A
SCHEMBL1820679 0.75 MAPT (0.39) PPIAMEN1GAAKMT2AGHSR
SCHEMBL15416347 0.74 CYP3A4 (0.40) PPIAMEN1USP2KMT2AHSD17B10

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 15 patents. 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-2078002-B1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2013-08-28 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-8227605-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors SCHERING CORPORATION (US) 2012-07-24 US disclosed
US-8227605-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors SCHERING CORPORATION (US) 2012-07-24 US disclosed
US-8227605-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors SCHERING CORPORATION (US) 2012-07-24 US disclosed
US-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
US-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-03-04 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
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

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 DRD2 4346/4885PPIA 1461/4885KDM1A 1627/4885
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MAPK15, CDK15, MAPKAPK5 DRD2 3597/4885PPIA 800/4885KDM1A 2862/4885

“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.