SCHEMBL2077582

SCHEMBL2077582

NC(=O)C1CCN(c2ccccc2N)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
USP2 O75604 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.53
KEAP1 Q14145 1/20 0.53
ALDH1A1 P00352 9/20 0.50
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
GFER P55789 1/20 0.50
NPC1 O15118 1/20 0.50
TDP2 O95551 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
GALK1 P51570 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL2080779 0.90 NOTUM (0.55) GAAMEN1KMT2AUSP2SMN1; SMN2
SCHEMBL2559578 0.87 KMT2A (0.60) GAAMEN1KMT2AUSP2KEAP1
SCHEMBL23379676 0.85 GAA (0.63) GAAMEN1KMT2AUSP2SMN1; SMN2
SCHEMBL8124395 0.85 GAA (0.69) GAAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4592689 0.82 GAA (0.55) GAAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3436317 0.82 ALDH1A1 (0.62) GAAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2554368 0.81 GAA (0.53) GAAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16814953 0.80 GAA (0.52) GAAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL30332339 0.80 GAA (0.52) GAAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14330895 0.80 GAA (0.52) GAAMEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF NATIONAL CENTER FOR ADVANCING TRANSLATIONAL SCIENCES 2022-10-06 US disclosed
WO-2021041866-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-03-04 WO 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
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
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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
CN-101573345-A 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors SCHERING CORP (US) 2009-11-04 CN disclosed
EP-2078002-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2009-07-15 EP disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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-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 (4 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-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF MCOLN1, MCOLN2, MCOLN3 GAA 154/4885MEN1 336/4885KMT2A 3579/4885
US-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 GAA 3421/4885MEN1 3622/4885KMT2A 1743/4885
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MAPK15, CDK15, MAPKAPK5 GAA 3259/4885MEN1 1813/4885KMT2A 3820/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 GAA 3904/4885MEN1 4778/4885KMT2A 1707/4885

“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.