SCHEMBL17801258

SCHEMBL17801258

c1cncc(-c2nc3cnc(N4CCOCC4)cc3s2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LRRK2 Q5S007 2/20 0.48
P4HTM Q9NXG6 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
ATR Q13535 2/20 0.46
GBA1 P04062 1/20 0.45
PIM1 P11309 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
APP P05067 1/20 0.43
ATRIP Q8WXE1 1/20 0.43
PDE10A Q9Y233 1/20 0.43
PIK3R1 P27986 1/20 0.43
MTOR P42345 1/20 0.43

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
SCHEMBL17801282 0.90 NPC1 (0.52) PIK3CANPC1RAB9AALDH1A1PIM1
SCHEMBL17801770 0.83 APP (0.57) PIK3CANPC1RAB9AALDH1A1HTT
SCHEMBL17803403 0.79 MAOB (0.58) PIK3CANPC1RAB9ALRRK2ALDH1A1
SCHEMBL31239314 0.77 CNR2 (0.43) CDK5CDK5R1APP
SCHEMBL34470834 0.77 CNR2 (0.43) CDK5CDK5R1APP
SCHEMBL20783956 0.76 PIK3CA (0.52) PIK3CANPC1RAB9AALDH1A1PIK3CG
SCHEMBL20783819 0.76 NPC1 (0.50) PIK3CANPC1RAB9AALDH1A1PIM1
SCHEMBL17801340 0.75 NPC1 (0.61) PIK3CANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17801198 0.74 RAB9A (0.60) PIK3CANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17801257 0.74 NPC1 (0.60) PIK3CANPC1RAB9ASMN1; SMN2CYP1A2

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 PIK3CA 2168/4885NPC1 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.