SCHEMBL2838703

SCHEMBL2838703

CC1(C)CNc2ncccc2CN1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
GSK3B P49841 1/20 0.36
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NPC1 O15118 1/20 0.33
IDH1 O75874 8/20 0.32
CYP1A2 P05177 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2400223 0.76
SCHEMBL29313818 0.75 ALDH1A1 (0.40) ALDH1A1MAPT
SCHEMBL20797546 0.70 GAA (0.38) ALDH1A1MAPTGSK3BADRA2AADRA2B
SCHEMBL29550116 0.70 GAA (0.38) ALDH1A1MAPTGSK3BADRA2AADRA2B
SCHEMBL2161648 0.69 PNMT (0.34) ADRA2AADRA2BADRA2CCYP1A2SMN1; SMN2
SCHEMBL30806877 0.68 CD44 (0.42) ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL6618255 0.68 CD44 (0.42) ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL7034736 0.68 GSK3B (0.35) ALDH1A1MAPTGSK3BNPC1CYP1A2
SCHEMBL24124148 0.68 ALDH1A1 (0.33) ALDH1A1MAPTNPC1
SCHEMBL30828773 0.67

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687533-B1 Acrylamide derivatives as FAB I inhibitors DEBIOPHARM INT SA (CH) 2017-07-19 EP disclosed
EP-2687533-B1 Acrylamide derivatives as FAB I inhibitors DEBIOPHARM INT SA (CH) 2017-07-19 EP disclosed
EP-2054422-B1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS DEBIOPHARM INT SA (CH) 2017-06-14 EP disclosed
EP-2054422-B1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS DEBIOPHARM INT SA (CH) 2017-06-14 EP disclosed
US-8895545-B2 Acrylamide derivatives as Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2014-11-25 US disclosed
US-8895545-B2 Acrylamide derivatives as Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2014-11-25 US disclosed
US-8895545-B2 Acrylamide derivatives as Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2014-11-25 US disclosed
EP-2687533-A2 Acrylamide derivatives as FAB I inhibitors Affinium Pharmaceuticals, Inc. (CA) 2014-01-22 EP disclosed
EP-2687533-A2 Acrylamide derivatives as FAB I inhibitors Affinium Pharmaceuticals, Inc. (CA) 2014-01-22 EP disclosed
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-09-12 US disclosed
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-09-12 US disclosed
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-09-12 US disclosed
US-8318720-B2 Acrylamide derivatives as Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-11-27 US disclosed
US-8318720-B2 Acrylamide derivatives as Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-11-27 US disclosed
US-8318720-B2 Acrylamide derivatives as Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-11-27 US disclosed
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2010-05-27 US disclosed
EP-2054422-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2009-05-06 EP disclosed
WO-2008009122-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2008-01-24 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-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC ALDH1A1 1379/4885MAPT 1452/4885GSK3B 4141/4885
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC ALDH1A1 1379/4885MAPT 1452/4885GSK3B 4141/4885

“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.