SCHEMBL17801770

SCHEMBL17801770

c1cncc(-c2nc3ccc(N4CCOCC4)cc3s2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
ALOX15 P16050 1/20 0.57
IRAK4 Q9NWZ3 2/20 0.50
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
PIK3CA P42336 1/20 0.47
CHEK1 O14757 1/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
PTK2 Q05397 1/20 0.46
GBA1 P04062 1/20 0.46
ALK Q9UM73 1/20 0.45

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
SCHEMBL17801258 0.83 PIK3CA (0.49) APPNPC1RAB9ASMN1; SMN2IRAK4
SCHEMBL17803403 0.78 MAOB (0.58) NPC1RAB9ASMN1; SMN2IRAK4ALDH1A1
SCHEMBL17801739 0.76 NPC1 (0.56) NPC1RAB9AALOX15ALDH1A1CYP1A2
SCHEMBL17801756 0.75 NPC1 (0.54) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL8397683 0.75 APP (0.64) APPNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8245552 0.75 APP (0.71) APPNPC1RAB9ASMN1; SMN2TP53
SCHEMBL6985154 0.74 PIK3CA (0.53) SMN1; SMN2TP53IRAK4ALDH1A1HTT
Hydrochloric Acid SCHEMBL6988005 0.74 PIK3CA (0.52) SMN1; SMN2TP53IRAK4ALDH1A1HTT
SCHEMBL10347934 0.73 NPC1 (0.70) APPNPC1RAB9ASMN1; SMN2TP53
SCHEMBL74296 0.73 RAB9A (1.00) APPNPC1RAB9ASMN1; SMN2TP53

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 APP 1491/4885NPC1 2214/4885RAB9A 524/4885

“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.