SCHEMBL854620

SCHEMBL854620

CC(=O)OCc1ccc(C2=NCC(c3ccnc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
PTGES O14684 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KIT P10721 1/20 0.30

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
SCHEMBL854507 0.90 NOTUM (0.35) NOTUMKIT
SCHEMBL855418 0.90 NOTUM (0.36) NOTUML3MBTL1KIT
SCHEMBL855913 0.86 NOTUM (0.36) NOTUML3MBTL1KIT
SCHEMBL854960 0.86 NOTUM (0.35) NOTUMALDH1A1ALOX15NPSR1HSD17B10
SCHEMBL854638 0.86 NOTUM (0.35) NOTUMALDH1A1ALOX15NPSR1HSD17B10
SCHEMBL854959 0.85 NOTUM (0.35) NOTUMALDH1A1ALOX15NPSR1HSD17B10
SCHEMBL928244 0.84 NOTUM (0.34) NOTUML3MBTL1KIT
SCHEMBL855495 0.83 NOTUM (0.35) NOTUMPTGESKIT
SCHEMBL855411 0.83 NOTUM (0.34) NOTUMKIT
SCHEMBL856315 0.80 NOTUM (0.36) NOTUML3MBTL1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9055749-B2 Insecticidal arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 US disclosed
EP-2432762-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2015-02-25 EP disclosed
US-20140024680-A1 Insecticidal Arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US disclosed
US-8410141-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2013-04-02 US disclosed
US-20120108635-A1 Insecticidal Arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-05-03 US disclosed
EP-2432762-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2012-03-28 EP disclosed
WO-2010133336-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2010-11-25 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-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 NOTUM 803/4885CDK2 1310/4885GSK3B 4181/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 NOTUM 803/4885CDK2 1310/4885GSK3B 4181/4885

“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.