SCHEMBL2442408

SCHEMBL2442408

NC(=O)CN1CC[C@H](N)C1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
APEX1 P27695 2/20 0.48
CYP3A4 P08684 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 1/20 0.48
BLM P54132 1/20 0.44
DPP4 P27487 3/20 0.44
ACE P12821 4/20 0.42
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2442413 1.00 TSHR (0.48) TSHRAPEX1CYP3A4TDP1MAPT
SCHEMBL9611932 0.89 TSHR (0.53) TSHRAPEX1CYP3A4TDP1MAPT
SCHEMBL5639124 0.87 TSHR (0.51) TSHRAPEX1CYP3A4TDP1MAPT
SCHEMBL385463 0.85 ACE (0.59) TSHRAPEX1CYP3A4TDP1MAPT
SCHEMBL6141057 0.85 ACE (0.59) TSHRAPEX1CYP3A4TDP1MAPT
SCHEMBL385403 0.85 ACE (0.59) TSHRAPEX1CYP3A4TDP1MAPT
SCHEMBL12956416 0.83 CYP3A4 (0.47) TSHRAPEX1CYP3A4TDP1MAPT
SCHEMBL3897710 0.81 APEX1 (0.49) TSHRAPEX1BLMACERAB9A
SCHEMBL9789683 0.81 APEX1 (0.49) TSHRAPEX1BLMACERAB9A
SCHEMBL9789664 0.81 APEX1 (0.49) TSHRAPEX1BLMACERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079727-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2016-02-17 EP claimed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US claimed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US claimed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US claimed
EP-2079727-A2 KINASE INHIBITOR COMPOUNDS Xcovery, INC. (US) 2009-07-22 EP claimed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US claimed
WO-2008033562-A2 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-03-20 WO claimed
US-20220009918-A1 Chemical Compounds GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-13 US disclosed
EP-3877384-A1 CHEMICAL COMPOUNDS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2021-09-15 EP disclosed
CN-112969698-A Chemical compound 葛兰素史密斯克莱知识产权发展有限公司 2021-06-15 CN disclosed
EP-2079727-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2016-02-17 EP disclosed
EP-2079727-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2016-02-17 EP disclosed
CN-101553482-B Kinase inhibitor compounds XCOVERY INC 2013-11-20 CN disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US disclosed
EP-2079727-A2 KINASE INHIBITOR COMPOUNDS Xcovery, INC. (US) 2009-07-22 EP disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
WO-2008033562-A2 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-03-20 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 (3 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-20090076005-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 TSHR 4114/4885APEX1 2379/4885CYP3A4 4408/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 TSHR 4114/4885APEX1 2379/4885CYP3A4 4408/4885
US-20220009918-A1 Chemical Compounds HPGDS, PTGS1, PTGER1 TSHR 4539/4885APEX1 1023/4885CYP3A4 758/4885

“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.