SCHEMBL2837877

SCHEMBL2837877

Brc1cnc2c(c1)CNC(Cc1ccccc1)CN2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PNMT P11086 5/20 0.37
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
POLB P06746 1/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34

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
SCHEMBL2837872 1.00 MEN1 (0.53) MEN1KMT2APNMTADRA2AADRA2B
SCHEMBL2844864 0.80 MEN1 (0.63) MEN1KMT2APNMTPOLB
SCHEMBL2844860 0.80 MEN1 (0.63) MEN1KMT2APNMTPOLB
SCHEMBL6618053 0.78 MEN1 (0.68) MEN1KMT2APNMTADRA2AADRA2B
SCHEMBL6616133 0.78 MEN1 (0.68) MEN1KMT2APNMTADRA2AADRA2B
SCHEMBL2845174 0.73 PNMT (0.44) PNMTADRA2AADRA2BADRA2C
SCHEMBL2843130 0.73 PNMT (0.44) PNMTADRA2AADRA2BADRA2C
SCHEMBL2843135 0.73 PNMT (0.44) PNMTADRA2AADRA2BADRA2C
SCHEMBL6616489 0.71 MEN1 (0.97) MEN1KMT2APNMTPOLB
SCHEMBL6640477 0.71 MEN1 (0.51) MEN1KMT2APNMTADRA2AADRA2B

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-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
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-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
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 MEN1 4521/4885KMT2A 4065/4885PNMT 3947/4885
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC MEN1 4521/4885KMT2A 4065/4885PNMT 3947/4885

“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.