SCHEMBL17802472

SCHEMBL17802472

Nc1cnc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
DYRK1B Q9Y463 4/20 0.46
DYRK1A Q13627 3/20 0.45
PIK3CD O00329 1/20 0.45
PIP5K1C O60331 1/20 0.45
PIK3CA P42336 1/20 0.45
PI4KA P42356 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
MEN1 O00255 2/20 0.44
AXL P30530 2/20 0.44
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
PSIP1 O75475 1/20 0.44
ALOX5 P09917 1/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2A6 P11509 3/20 0.43
CYP2C19 P33261 2/20 0.43

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
SCHEMBL17802478 0.83 RAB9A (0.52) NPC1RAB9AKDM4ESMN1; SMN2DYRK1B
SCHEMBL17802462 0.80 RAB9A (0.47) NPC1RAB9AAXLMKNK1MKNK2
SCHEMBL11778594 0.78 MAPT (0.70) NPC1RAB9AKDM4ESMN1; SMN2PIK3CD
SCHEMBL17802497 0.78 NPC1 (0.47) NPC1RAB9AKDM4EPIK3CDPIP5K1C
Hydrochloric Acid SCHEMBL31219259 0.77 MAPT (0.68) NPC1RAB9AKDM4ESMN1; SMN2PIK3CD
Hydrochloric Acid SCHEMBL22130206 0.77 MAPT (0.68) NPC1RAB9AKDM4ESMN1; SMN2PIK3CD
SCHEMBL17802450 0.77 APP (0.40) NPC1RAB9AKDM4ESMN1; SMN2DYRK1A
SCHEMBL17802499 0.77 NPC1 (0.49) NPC1RAB9AKDM4ESMN1; SMN2ALOX5
SCHEMBL17802479 0.76 RAB9A (0.45) NPC1RAB9AKDM4ESMN1; SMN2DYRK1B
SCHEMBL31219277 0.75 NPC1 (0.66) NPC1RAB9AKDM4ESMN1; SMN2PIK3CD

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 NPC1 1939/4885RAB9A 736/4885KDM4E 1993/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NPC1 1939/4885RAB9A 736/4885KDM4E 1993/4885

“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.