SCHEMBL17801288

SCHEMBL17801288

FC(F)(F)c1ccn(-c2cc3sc(-c4cccnc4)nc3cn2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PIK3CD O00329 1/20 0.35
PIP5K1C O60331 1/20 0.35
PIK3CA P42336 1/20 0.35
PI4KA P42356 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
HTT P42858 1/20 0.35
CLK1 P49759 2/20 0.35
DYRK1A Q13627 2/20 0.35
PRMT6 Q96LA8 1/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALOX5 P09917 1/20 0.34
PTGS2 P35354 2/20 0.34
CYP3A4 P08684 1/20 0.33
TP53 P04637 1/20 0.33
CYP2A6 P11509 1/20 0.33
KCNT1 Q5JUK3 1/20 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
SCHEMBL17801773 0.84 NPC1 (0.49) NPC1RAB9APIK3CDPIP5K1CPIK3CA
SCHEMBL17801374 0.82 NPC1 (0.56) NPC1RAB9APIK3CDPIP5K1CPIK3CA
SCHEMBL17813170 0.79 NPC1 (0.40) NPC1RAB9AHTTPRMT6MAPT
SCHEMBL17801282 0.77 NPC1 (0.52) NPC1RAB9APIK3CDPIP5K1CPIK3CA
SCHEMBL12278842 0.75 PRMT6 (0.57) NPC1RAB9AHTTPRMT6MAPT
SCHEMBL5482622 0.74 NPSR1 (0.41) NPC1RAB9AHTTMAPTPTGS2
SCHEMBL17801258 0.72 PIK3CA (0.49) NPC1RAB9APIK3CAHTTCYP3A4
SCHEMBL17801340 0.72 NPC1 (0.61) NPC1RAB9APIK3CDPIP5K1CPIK3CA
SCHEMBL17801198 0.71 RAB9A (0.60) NPC1RAB9APIK3CDPIP5K1CPIK3CA
SCHEMBL17801257 0.71 NPC1 (0.60) NPC1RAB9APIK3CDPIP5K1CPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282347-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-04 US disclosed
EP-3227301-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087417-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087417-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-20180282347-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NPC1 2214/4885RAB9A 524/4885PIK3CD 998/4885

“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.