SCHEMBL17802442

SCHEMBL17802442

Clc1cccc(Nc2cnc3nc(-c4cccnc4)sc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.54
BCR P11274 3/20 0.54
PRKCA P17252 2/20 0.54
PRKCD Q05655 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
XBP1 P17861 1/20 0.43
STAT3 P40763 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42

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
SCHEMBL17802497 0.82 NPC1 (0.47) ABL1BCRPRKCAPRKCDMEN1
SCHEMBL4187426 0.74 ABL1 (0.60) ABL1BCRPRKCAPRKCDMEN1
SCHEMBL17802478 0.73 RAB9A (0.52) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL17802472 0.73 NPC1 (0.52) MEN1KMT2AALDH1A1GLAMAPT
SCHEMBL17802503 0.72 RAB9A (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3954788 0.72 ABL1 (0.58) ABL1BCRPRKCAPRKCDMEN1
SCHEMBL17812983 0.70 NPC1 (0.59) ABL1MEN1KMT2AALDH1A1GLA
SCHEMBL6254782 0.70 ABL1 (1.00) ABL1BCRPRKCAPRKCDMEN1
SCHEMBL24366502 0.69 NPC1 (0.66) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20375698 0.69 RAB9A (0.38) MEN1KMT2AALDH1A1MAPTNPC1

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 8 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
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 ABL1 4663/4885BCR 2351/4885PRKCA 2010/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 ABL1 4663/4885BCR 2351/4885PRKCA 2010/4885

“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.