SCHEMBL318922

SCHEMBL318922

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SMO Q99835 1/20 0.36
PGR P06401 3/20 0.32
CACNA1H O95180 1/20 0.32
BACE1 P56817 4/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
BACE2 Q9Y5Z0 2/20 0.30
KIF11 P52732 1/20 0.30
PIK3CD O00329 1/20 0.30
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
HCK P08631 1/20 0.30
SRC P12931 1/20 0.30
KDR P35968 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 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
SCHEMBL318362 0.89 BACE1 (0.36) CYP11B1CYP11B2SMOPGRCACNA1H
SCHEMBL854423 0.88 PGR (0.32) CYP11B1CYP11B2SMOPGRCACNA1H
SCHEMBL319182 0.88 BACE1 (0.36) CYP11B1CYP11B2PGRCACNA1HBACE1
SCHEMBL855508 0.86 BACE1 (0.35) CYP11B1CYP11B2PGRCACNA1HBACE1
SCHEMBL2699619 0.84 MPL (0.35)
SCHEMBL2699627 0.83 BACE1 (0.33) CYP11B2BACE1BACE2
SCHEMBL318544 0.83 NPY5R (0.30)
SCHEMBL855519 0.80 BACE1 (0.33) BACE1BACE2
SCHEMBL325297 0.79 ALDH1A1 (0.33) CYP11B1CYP11B2ALOX5AP
SCHEMBL925910 0.79 CACNA1H (0.32) CACNA1H

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-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
EP-2242739-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2014-11-12 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-8304371-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-11-06 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-2012004326-A1 PESTICIDAL PYRROLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-01-12 WO disclosed
US-20110003690-A1 INSECTICIDAL ARYLPYRROLINES BAY CROPSCIENCE AG (DE) 2011-01-06 US disclosed
WO-2010133336-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2010-11-25 WO disclosed
EP-2242739-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2010-10-27 EP disclosed
WO-2009097992-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2009-08-13 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 (3 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-20110003690-A1 INSECTICIDAL ARYLPYRROLINES DDT, ACHE, CYP1A2 CYP11B1 685/4885CYP11B2 594/4885SMO 4569/4885
US-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 CYP11B1 660/4885CYP11B2 631/4885SMO 4499/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 CYP11B1 660/4885CYP11B2 631/4885SMO 4499/4885

“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.