SCHEMBL17801714

SCHEMBL17801714

Brc1ccc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
APP P05067 4/20 0.58
PIK3CA P42336 2/20 0.52
PIK3CD O00329 1/20 0.52
PIP5K1C O60331 1/20 0.52
PI4KA P42356 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
CYP19A1 P11511 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
PKM P14618 2/20 0.47
HPGD P15428 2/20 0.47

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
SCHEMBL30903625 0.83 APP (0.71) NPC1RAB9AAPPKDM4EALDH1A1
SCHEMBL15414023 0.83 APP (0.71) NPC1RAB9AAPPKDM4EALDH1A1
SCHEMBL11778594 0.82 MAPT (0.70) NPC1RAB9AAPPPIK3CAPIK3CD
SCHEMBL30420821 0.82 RAB9A (0.66) NPC1RAB9AAPPPIK3CAPIK3CD
SCHEMBL15125073 0.82 RAB9A (0.66) NPC1RAB9AAPPPIK3CAPIK3CD
SCHEMBL17801681 0.82 NPC1 (0.66) NPC1RAB9AAPPPIK3CAPIK3CD
SCHEMBL17801198 0.81 RAB9A (0.60) NPC1RAB9APIK3CAPIK3CDPIP5K1C
Hydrochloric Acid SCHEMBL22130206 0.81 MAPT (0.68) NPC1RAB9AAPPPIK3CAPIK3CD
Hydrochloric Acid SCHEMBL31219259 0.81 MAPT (0.68) NPC1RAB9AAPPPIK3CAPIK3CD
SCHEMBL28175321 0.81 NPC1 (0.64) NPC1RAB9APIK3CAPIK3CDPIP5K1C

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 13 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
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 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
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
EP-3227302-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
CN-107207529-A Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2017-09-26 CN 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-2016087373-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
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 (3 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 736/4885APP 1763/4885
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NPC1 2214/4885RAB9A 524/4885APP 1491/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NPC1 1939/4885RAB9A 736/4885APP 1763/4885

“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.