SCHEMBL4099333

SCHEMBL4099333

CC(=O)Nc1ncc(Br)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.41
DYRK1B Q9Y463 2/20 0.40
ALDH1A1 P00352 1/20 0.39
EGFR P00533 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK8 P45983 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
LRRK2 Q5S007 1/20 0.35
ERBB2 P04626 1/20 0.35
MAPK9 P45984 1/20 0.35
NPC1 O15118 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL1516634 0.81 DYRK1A (0.36) DYRK1ADYRK1BALDH1A1EGFRSMN1; SMN2
SCHEMBL14208239 0.80 DYRK1A (0.35) DYRK1ADYRK1BEGFRSMN1; SMN2L3MBTL1
SCHEMBL12762851 0.80 DYRK1A (0.35) DYRK1ADYRK1BALDH1A1EGFRSMN1; SMN2
SCHEMBL17591608 0.78 EGFR (0.37) DYRK1ADYRK1BALDH1A1EGFRSMN1; SMN2
SCHEMBL11637557 0.78 MAPT (0.51) DYRK1ADYRK1BALDH1A1EGFRSMN1; SMN2
SCHEMBL31350832 0.78 CHEK1 (0.37) DYRK1ADYRK1BALDH1A1EGFRSMN1; SMN2
SCHEMBL9648980 0.78 HPGD (0.42) ALDH1A1EGFRSMN1; SMN2POLBKDM4E
SCHEMBL1433126 0.77 DYRK1A (0.42) DYRK1ADYRK1BALDH1A1EGFRSMN1; SMN2
SCHEMBL4098480 0.77 DYRK1A (0.42) DYRK1ADYRK1BALDH1A1EGFRSMN1; SMN2
SCHEMBL760353 0.77 NPC1 (0.48) DYRK1ADYRK1BALDH1A1EGFRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
EP-1973902-A2 3-HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS Affinium Pharmaceuticals, Inc. (CA) 2008-10-01 EP disclosed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 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 (1 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI DYRK1A 4556/4885DYRK1B 4714/4885ALDH1A1 2669/4885

“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.