SCHEMBL4083786

SCHEMBL4083786

Nc1c(Br)cc2cn[nH]c2c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.38
CHEK1 O14757 2/20 0.36
ROCK1 Q13464 2/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
MAP4K4 O95819 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
LTK P29376 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
CSNK1A1 P48729 1/20 0.36
PRKX P51817 1/20 0.36
CDK5 Q00535 1/20 0.36
MAP2K1 Q02750 1/20 0.36
MST1R Q04912 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
SCHEMBL4074966 0.82 TSHR (0.44) NOS1CHEK1ROCK1PLK4AURKA
SCHEMBL4071766 0.81 CYP1A2 (0.39) NOS1CHEK1ROCK1PLK4AURKA
SCHEMBL2582880 0.81 MAPT (0.46) CHEK1ROCK1PLK4AURKADAPK3
SCHEMBL30206423 0.81 MAPT (0.46) CHEK1ROCK1PLK4AURKADAPK3
SCHEMBL4081049 0.78 CHEK1 (0.34) CHEK1ROCK1PLK4AURKADAPK3
SCHEMBL4071770 0.78 LRRK2 (0.38) CHEK1ROCK1PLK4AURKADAPK3
SCHEMBL4083790 0.72 CHEK1 (0.46) NOS1CHEK1ROCK1PLK4AURKA
SCHEMBL31662419 0.72 TTR (0.46) NOS1CHEK1ROCK1PLK4AURKA
SCHEMBL31217425 0.72 IDO1 (0.39) NOS1CHEK1ROCK1PLK4AURKA
SCHEMBL31437637 0.70 MAPT (0.43) NOS1CHEK1ROCK1PLK4AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658801-B2 Pesticides containing a bicyclic bisamide structure SYNGENTA CROP PROTECTION, LLC (US) 2014-02-25 US disclosed
US-8658801-B2 Pesticides containing a bicyclic bisamide structure SYNGENTA CROP PROTECTION, LLC (US) 2014-02-25 US disclosed
US-8658801-B2 Pesticides containing a bicyclic bisamide structure SYNGENTA CROP PROTECTION, LLC (US) 2014-02-25 US disclosed
US-20090298816-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA CROP PROTECTION, INC. (US) 2009-12-03 US disclosed
US-20090298816-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA CROP PROTECTION, INC. (US) 2009-12-03 US disclosed
US-20090298816-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA CROP PROTECTION, INC. (US) 2009-12-03 US disclosed
EP-1984354-B1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA PARTICIPATIONS AG (CH) 2009-08-05 EP disclosed
CN-101426779-A Pesticide containing bicyclic bisamide structure SYNGENTA PARTICIPATIONS AG (CH) 2009-05-06 CN disclosed
EP-1984354-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE Syngeta Participations AG (CH) 2008-10-29 EP disclosed
WO-2007093402-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA PARTICIPATIONS AG (CH) 2007-08-23 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-20090298816-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE DDT, ACHE, GAP43 NOS1 1512/4885CHEK1 3129/4885ROCK1 3743/4885

“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.