SCHEMBL4074656

SCHEMBL4074656

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.43
RXFP1 Q9HBX9 2/20 0.43
LRRK2 Q5S007 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.41
GAA P10253 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
MAPK10 P53779 1/20 0.38
KDM5A P29375 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL4075413 0.87 TSHR (0.41) KDM4EALDH1A1MAPTRXFP1LRRK2
SCHEMBL4079109 0.84 TSHR (0.39) KDM4EALDH1A1MAPTRXFP1LRRK2
SCHEMBL4071770 0.84 LRRK2 (0.38) KDM4EMAPTLRRK2HSD17B10ADORA3
SCHEMBL14434703 0.82 TSHR (0.37) KDM4EALDH1A1MAPTRXFP1LRRK2
SCHEMBL4072321 0.81 TSHR (0.45) KDM4EALDH1A1MAPTLRRK2SMN1; SMN2
SCHEMBL4074966 0.80 TSHR (0.44) KDM4EALDH1A1MAPTLRRK2SMN1; SMN2
SCHEMBL4072131 0.80 TSHR (0.44) KDM4EALDH1A1MAPTLRRK2SMN1; SMN2
SCHEMBL4074971 0.80 TSHR (0.44) KDM4EALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL4078993 0.72 TSHR (0.47) KDM4EALDH1A1MAPTLRRK2SMN1; SMN2
SCHEMBL4081049 0.70 CHEK1 (0.34) MAPTLRRK2HSD17B10CYP1A2CYP3A4

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 13 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
CN-101426779-B Pesticide containing bicyclic bisamide structure SYNGENTA PARTICIPATIONS AG 2013-08-21 CN 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
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 KDM4E 2264/4885ALDH1A1 729/4885MAPT 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.