SCHEMBL854423

SCHEMBL854423

N#Cc1cc(C2=NCC(c3cc(C(F)(F)F)nc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1F

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.32
SMO Q99835 1/20 0.32
GABRA1 P14867 5/20 0.32
GABRG2 P18507 5/20 0.32
GABRB3 P28472 5/20 0.32
GABRA5 P31644 4/20 0.32
GABRA3 P34903 4/20 0.32
GABRA2 P47869 3/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
BACE1 P56817 4/20 0.31
BACE2 Q9Y5Z0 2/20 0.31
CACNA1H O95180 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL2699627 0.93 BACE1 (0.33) BACE1BACE2CYP11B2
SCHEMBL318922 0.88 CYP11B1 (0.36) PGRSMOBACE1BACE2CACNA1H
SCHEMBL318362 0.88 BACE1 (0.36) PGRSMOBACE1BACE2CACNA1H
SCHEMBL855508 0.87 BACE1 (0.35) PGRBACE1BACE2CACNA1HCYP11B1
SCHEMBL318455 0.86 CACNA1H (0.37) ABCG2CACNA1HCYP11B1CYP11B2
SCHEMBL317743 0.86 ABCG2 (0.31) ABCG2
SCHEMBL319182 0.85 BACE1 (0.36) PGRBACE1BACE2CACNA1HCYP11B1
SCHEMBL854459 0.83 KDM4E (0.30)
SCHEMBL325242 0.81 HSD17B10 (0.37)
SCHEMBL855463 0.81 ALDH1A1 (0.38)

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 PGR 4405/4885SMO 4499/4885GABRA1 2998/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 PGR 4405/4885SMO 4499/4885GABRA1 2998/4885

“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.