SCHEMBL17801723

SCHEMBL17801723

CN(C(=O)c1cccc(SC(F)(F)F)c1)c1ccc2nc(-c3cncc(F)c3)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.41
PIK3CG P48736 1/20 0.38
ABL1 P00519 2/20 0.38
DYRK1A Q13627 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PAX8 Q06710 1/20 0.35
KCNH2 Q12809 1/20 0.34
LMNA P02545 1/20 0.34
NFKB1 P19838 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
SCHEMBL17801691 0.83 MAPT (0.46) PIK3CGABL1MAPTTP53KDM4E
SCHEMBL19608558 0.81 APP (0.41) APPPIK3CGDYRK1ACYP3A4KCNH2
SCHEMBL17801774 0.78 MAPT (0.43) PIK3CGABL1DYRK1AMAPTCYP3A4
SCHEMBL19608700 0.74 APP (0.42) APPPIK3CGABL1DYRK1AMAPT
SCHEMBL16568908 0.70 KDM4E (0.64) APPPIK3CGDYRK1AMAPTKDM4E
SCHEMBL17802471 0.68 ABL1 (0.47) ABL1KCNH2
SCHEMBL16623340 0.67 APP (0.57) APPMAPTCYP3A4ALDH1A1PAX8
SCHEMBL17801744 0.66 APP (0.49) APPPIK3CGDYRK1AMAPTKDM4E
SCHEMBL17801726 0.66 PIK3CG (0.44) APPPIK3CGABL1DYRK1AMAPT
SCHEMBL16568922 0.66 HDAC6 (0.46) PIK3CGDYRK1AMAPTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
EP-3227283-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 APP 1491/4885PIK3CG 954/4885ABL1 4569/4885

“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.