SCHEMBL17802450

SCHEMBL17802450

Nc1cnc2nc(-c3cncc(F)c3)sc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.40
HRH3 Q9Y5N1 1/20 0.36
NQO2 P16083 1/20 0.36
ADORA2B P29275 1/20 0.36
MAPT P10636 6/20 0.35
KDM4E B2RXH2 5/20 0.35
GAA P10253 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
GLA P06280 3/20 0.35
DYRK1A Q13627 2/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PKM P14618 2/20 0.33
HPGD P15428 2/20 0.33
PIK3CG P48736 1/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL17802472 0.77 NPC1 (0.52) MAPTKDM4EGAANPC1RAB9A
SCHEMBL17801701 0.77 APP (0.69) APPMAPTKDM4EGAANPC1
Hydrochloric Acid SCHEMBL22130203 0.76 APP (0.68) APPMAPTKDM4EGAANPC1
SCHEMBL17802495 0.75 DYRK1A (0.41) MAPTKDM4EGAANPC1RAB9A
SCHEMBL17813172 0.72 DYRK1A (0.52) DYRK1APIK3CG
SCHEMBL17813221 0.71 DYRK1A (0.36) APPDYRK1APIK3CG
SCHEMBL17641052 0.70 PIM1 (0.38) APPNQO2ADORA2BDYRK1APIK3CG
SCHEMBL22987252 0.69 DYRK1A (0.59) APPMAPTKDM4EGAANPC1
SCHEMBL30416973 0.69 DYRK1A (0.59) APPMAPTKDM4EGAANPC1
SCHEMBL18194358 0.68 KDM4E (0.39) NQO2ADORA2BMAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10138254-B2 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-27 US disclosed
EP-3227302-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
EP-3227302-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
EP-3227302-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087373-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087373-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 (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-10138254-B2 Bicyclic compounds as pest control agents DDT, BCHE, BAK1 APP 1763/4885HRH3 1133/4885NQO2 4027/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 APP 1763/4885HRH3 1133/4885NQO2 4027/4885

“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.