SCHEMBL2687256

SCHEMBL2687256

NC(=O)C1C[C]CCN1c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
CHRNB2 P17787 9/20 0.39
CHRNA4 P43681 9/20 0.39
GPR119 Q8TDV5 1/20 0.38
CHRNB4 P30926 5/20 0.38
CHRNA3 P32297 5/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
SARM1 Q6SZW1 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
SIRT4 Q9Y6E7 1/20 0.36
AOC3 Q16853 2/20 0.36
VNN1 O95497 1/20 0.36

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
SCHEMBL1674952 0.83 MAPT (0.33) PIM1MAPTMAPK1AOC3
SCHEMBL28570406 0.80 PIM1 (0.56) PIM1CHRNB2CHRNA4GPR119CHRNB4
SCHEMBL31173895 0.80 PIM1 (0.56) PIM1CHRNB2CHRNA4GPR119CHRNB4
SCHEMBL15665204 0.80 PIM1 (0.56) PIM1CHRNB2CHRNA4GPR119CHRNB4
SCHEMBL15664903 0.80 PIM1 (0.56) PIM1CHRNB2CHRNA4GPR119CHRNB4
SCHEMBL2888907 0.75 ALDH1A1 (0.40) GPR119MAPK1
SCHEMBL15665299 0.70 SMN1; SMN2 (0.52) PIM1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29507440 0.70 SMN1; SMN2 (0.52) PIM1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15665079 0.70 SMN1; SMN2 (0.52) PIM1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4392645 0.68 GPR119 (0.53) CHRNB2CHRNA4GPR119CHRNB4CHRNA3

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 11 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
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-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
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US 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 PIM1 478/4885CHRNB2 3609/4885CHRNA4 4502/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 PIM1 478/4885CHRNB2 3609/4885CHRNA4 4502/4885
US-20100261665-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 PIM1 478/4885CHRNB2 3609/4885CHRNA4 4502/4885

“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.