SCHEMBL17801773

SCHEMBL17801773

FC(F)(F)c1ccn(-c2ccc3nc(-c4cccnc4)sc3c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
PIK3CA P42336 2/20 0.40
PIK3CD O00329 1/20 0.40
PIP5K1C O60331 1/20 0.40
PI4KA P42356 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
PTGS2 P35354 3/20 0.39
TP53 P04637 2/20 0.37
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
PKM P14618 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL17801288 0.84 NPC1 (0.45) NPC1RAB9APIK3CAPIK3CDPIP5K1C
SCHEMBL17813170 0.84 NPC1 (0.40) NPC1RAB9APTGS2TP53MAPT
SCHEMBL17801698 0.81 NPC1 (0.52) NPC1RAB9APIK3CAPIK3CDPIP5K1C
SCHEMBL17801756 0.77 NPC1 (0.54) NPC1RAB9APIK3CAPIK3CDPIP5K1C
SCHEMBL17801374 0.76 NPC1 (0.56) NPC1RAB9APIK3CAPIK3CDPIP5K1C
SCHEMBL12278842 0.76 PRMT6 (0.57) NPC1RAB9APTGS2TP53MAPT
SCHEMBL17801739 0.75 NPC1 (0.56) NPC1RAB9APIK3CAPIK3CDPIP5K1C
SCHEMBL17802524 0.73 PTGS2 (0.39) NPC1RAB9APTGS2MAPTKDM4E
SCHEMBL17801714 0.72 NPC1 (0.66) NPC1RAB9APIK3CAPIK3CDPIP5K1C
SCHEMBL2692140 0.72 NPC1 (0.46) NPC1RAB9APTGS2MAPTKDM4E

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 7 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
CN-107207490-A Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2017-09-26 CN 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 NPC1 2214/4885RAB9A 524/4885PIK3CA 2168/4885

“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.