SCHEMBL2687595

SCHEMBL2687595

COCCN1C(=O)C[C@H](N)C1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 5/20 0.36
GPBAR1 Q8TDU6 8/20 0.35
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL2848946 1.00 GAA (0.38) GAAALDH1A1TP53MAPTHPGD
Hydrochloric Acid SCHEMBL28335790 0.98 GAA (0.37) GAAALDH1A1TP53MAPTHPGD
SCHEMBL14277696 0.83 ALDH1A1 (0.33) GAAALDH1A1TP53MAPTHPGD
SCHEMBL9888827 0.80 GAA (0.39) GAAALDH1A1CYP19A1GPBAR1LMNA
SCHEMBL14001473 0.80 GAA (0.39) GAAALDH1A1CYP19A1GPBAR1LMNA
SCHEMBL14275616 0.79 CYP19A1 (0.53) GAAALDH1A1TP53MAPTHPGD
SCHEMBL15474210 0.79 SMN1; SMN2 (0.53) GAAALDH1A1TP53HPGDHTT
SCHEMBL23641773 0.79 GAA (0.40) GAAALDH1A1MAPTGPBAR1LMNA
SCHEMBL15474211 0.79 GAA (0.38) GAAALDH1A1CYP19A1GPBAR1LMNA
SCHEMBL15474216 0.78 SMN1; SMN2 (0.46) GAAALDH1A1TP53MAPTHPGD

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 31 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-20100144768-A1 KINASE INHIBITOR COMPOUNDS COMPASS HORIZON FUNDING COMPANY LLC 2010-06-10 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
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US 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-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US disclosed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US disclosed
US-8198276-B2 Kinase inhibitor compounds XCOVERY HOLDING COMPANY LLC (US) 2012-06-12 US disclosed
US-8198276-B2 Kinase inhibitor compounds XCOVERY HOLDING COMPANY LLC (US) 2012-06-12 US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 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
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
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-2008153942-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-12-18 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 GAA 694/4885ALDH1A1 4300/4885TP53 556/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 GAA 694/4885ALDH1A1 4300/4885TP53 556/4885
US-20100144768-A1 KINASE INHIBITOR COMPOUNDS MAP3K9, MAP3K1, MAP3K8 GAA 1840/4885ALDH1A1 3675/4885TP53 747/4885

“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.