SCHEMBL2686288

SCHEMBL2686288

NC(=O)[C@@H]1CCN(CCO)C1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
ACE P12821 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL20525267 0.85 ACE (0.35) ACESMN1; SMN2TSHR
SCHEMBL2687127 0.80 PARP1 (0.39) PARP1PARP2SMN1; SMN2ALDH1A1
SCHEMBL4480285 0.80 TSHR (0.34) ACESMN1; SMN2TSHR
SCHEMBL2687742 0.80 TSHR (0.46) ACETSHR
SCHEMBL13858027 0.76 DPP4 (0.34) ACEDPP4DPP8DPP7
SCHEMBL7219154 0.76 MAOB (0.35) ACESMN1; SMN2ALDH1A1TSHR
SCHEMBL31291796 0.76 CYP3A4 (0.50) ACESMN1; SMN2LMNADPP4DPP8
SCHEMBL2442693 0.76 CYP3A4 (0.50) ACESMN1; SMN2LMNADPP4DPP8
SCHEMBL2442696 0.76 CYP3A4 (0.50) ACESMN1; SMN2LMNADPP4DPP8
Hydrochloric Acid SCHEMBL2460929 0.74 CYP3A4 (0.48) ACESMN1; SMN2LMNADPP4DPP8

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-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
EP-2079727-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2016-02-17 EP disclosed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 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
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 PARP1 1054/4885PARP2 1056/4885ACE 1343/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 PARP1 1054/4885PARP2 1056/4885ACE 1343/4885
US-20100261665-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 PARP1 1054/4885PARP2 1056/4885ACE 1343/4885

“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.