SCHEMBL4059128

SCHEMBL4059128

CN(C)CCNC(=O)c1ccnc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPK1 P28482 1/20 0.49
KDM5A P29375 2/20 0.48
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 2/20 0.46
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
FYN P06241 1/20 0.46
HTT P42858 1/20 0.46
NAMPT P43490 1/20 0.45

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
SCHEMBL1135016 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KMT2AMAPK1KDM5A
SCHEMBL3298092 0.83 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2CYP1A2KDM5A
SCHEMBL29524220 0.83 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2KDM5AUSP2
SCHEMBL31245980 0.82 USP2 (0.51) ALDH1A1HPGDSMN1; SMN2KMT2ACYP1A2
SCHEMBL17804151 0.82 HPGD (0.59) ALDH1A1HPGDKMT2AKDM5ATAS1R3
SCHEMBL16964176 0.81 HTT (0.52) ALDH1A1SMN1; SMN2KMT2AMAPK1KDM5A
SCHEMBL11627803 0.81 SMN1; SMN2 (0.60) ALDH1A1HPGDSMN1; SMN2KMT2AKDM5A
SCHEMBL13702388 0.80 TAS1R3 (0.51) HPGDSMN1; SMN2KMT2AMAPK1KDM5A
SCHEMBL27620112 0.80 TAS1R3 (0.46) HPGDSMN1; SMN2KMT2AKDM5ALMNA
SCHEMBL27600705 0.79 NAMPT (0.65) ALDH1A1HPGDSMN1; SMN2KMT2ACYP1A2

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-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP claimed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US claimed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP claimed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO claimed
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
CN-100519550-C 2-oxoindole compounds having inhibitory activity on glycogen synthase kinase 3 receptor ASTRAZENECA AB SE (SE) 2009-07-29 CN disclosed
US-20090149460-A1 New Compounds BERG STEFAN 2009-06-11 US disclosed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP disclosed
US-7399780-B2 3-Heterocyclyl-indole inhibitors of glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2008-07-15 US disclosed
CN-1923812-A New compounds ASTRAZENECA AB (SE) 2007-03-07 CN disclosed
CN-1642938-A Novel compounds ASTRAZENECA AB (SE) 2005-07-20 CN disclosed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US disclosed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 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 (2 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-20090149460-A1 New Compounds SDHA, CYP11B2, SERPINB1 ALDH1A1 275/4885HPGD 292/4885SMN1; SMN2 2254/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 ALDH1A1 228/4885HPGD 188/4885SMN1; SMN2 1242/4885

“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.