SCHEMBL4072131

SCHEMBL4072131

COC(=O)c1c(N)c(I)cc2cn[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MAPKAPK2 P49137 1/20 0.37
MAPT P10636 3/20 0.36
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 4/20 0.35
NQO2 P16083 1/20 0.34
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
LTK P29376 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL4072321 0.84 TSHR (0.45) TSHRMAPTKMT2AKDM4EALDH1A1
SCHEMBL4074971 0.83 TSHR (0.44) TSHRMAPTKMT2AKDM4EALDH1A1
SCHEMBL4074966 0.83 TSHR (0.44) TSHRMAPTKMT2AKDM4EALDH1A1
SCHEMBL4075413 0.80 TSHR (0.41) TSHRMAPTKMT2AKDM4EALDH1A1
SCHEMBL4074656 0.80 KDM4E (0.43) TSHRMAPTKMT2AKDM4EALDH1A1
SCHEMBL4079109 0.77 TSHR (0.39) TSHRMAPTKMT2AKDM4EALDH1A1
SCHEMBL18301340 0.75 KDM4E (0.44) TSHRMAPKAPK2MAPTKMT2AKDM4E
SCHEMBL4078993 0.75 TSHR (0.47) TSHRMAPTKMT2AKDM4EALDH1A1
SCHEMBL14434703 0.75 TSHR (0.37) TSHRMAPKAPK2MAPTKMT2AKDM4E
SCHEMBL28723060 0.72 TSHR (0.47) TSHRMAPTKMT2AKDM4EALDH1A1

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
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
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 TSHR 1031/4885MAPKAPK2 4281/4885MAPT 124/4885

“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.