SCHEMBL17801735

SCHEMBL17801735

c1ccc(Nc2ccc3nc(-c4cccnc4)sc3c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FLT4 P35916 4/20 0.47
PIK3CA P42336 2/20 0.43
PIK3CD O00329 1/20 0.43
PIP5K1C O60331 1/20 0.43
PI4KA P42356 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
SYK P43405 1/20 0.43
AURKA O14965 4/20 0.43
KDR P35968 3/20 0.43
AURKB Q96GD4 3/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL26467310 0.89 FLT4 (0.54) NPC1RAB9ASMN1; SMN2FLT4SYK
SCHEMBL25303756 0.76 SYK (0.65) NPC1RAB9ASMN1; SMN2TP53PIK3CA
SCHEMBL17813000 0.75 NPC1 (0.54) NPC1RAB9ASMN1; SMN2PIK3CAPIK3CD
SCHEMBL17801767 0.74 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53PIK3CA
SCHEMBL30863871 0.74 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL221183 0.74 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL17801186 0.73 RAB9A (0.62) NPC1RAB9ASMN1; SMN2TP53PIK3CA
SCHEMBL11778594 0.73 MAPT (0.70) NPC1RAB9ASMN1; SMN2TP53PIK3CA
SCHEMBL17801681 0.73 NPC1 (0.66) NPC1RAB9ASMN1; SMN2TP53PIK3CA
SCHEMBL15125073 0.73 RAB9A (0.66) NPC1RAB9ASMN1; SMN2TP53PIK3CA

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 6 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
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 524/4885SMN1; SMN2 2216/4885

“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.