SCHEMBL2686469

SCHEMBL2686469

NC(=O)C1CON(C[C@H]2CCCO2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 7/20 0.42
TSHR P16473 3/20 0.42
POLB P06746 1/20 0.41
PARP1 P09874 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.38
RECQL P46063 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 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
SCHEMBL2686470 0.80 ALDH1A1 (0.46) KMT2AALDH1A1TSHRPOLBPARP1
SCHEMBL2686628 0.77 FEN1 (0.32) CNR1CNR2
SCHEMBL2688330 0.76 ERCC5 (0.35) CNR1CNR2
SCHEMBL2687480 0.72 SMN1; SMN2 (0.34) ALDH1A1
SCHEMBL2687773 0.71
SCHEMBL2687497 0.69 KDM4E (0.41) KMT2AALDH1A1PARP1MAPTKDM4E
SCHEMBL2689606 0.67 PARP1 (0.33) KMT2AALDH1A1PARP1MAPTKDM4E
SCHEMBL2686948 0.67
SCHEMBL2688334 0.67 PARP1 (0.33) KMT2AALDH1A1PARP1MAPTKDM4E
SCHEMBL15055954 0.66 ALDH1A1 (0.51) KMT2AALDH1A1TSHRPOLBMAPT

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 KMT2A 961/4885ALDH1A1 4300/4885TSHR 4114/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 KMT2A 961/4885ALDH1A1 4300/4885TSHR 4114/4885
US-20100261665-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 KMT2A 961/4885ALDH1A1 4300/4885TSHR 4114/4885

“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.