SCHEMBL5076868

SCHEMBL5076868

[c]1nc(-c2ccc[nH]2)c(-c2nccs2)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.36
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
METAP1 P53582 1/20 0.32
RAB9A P51151 2/20 0.31
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL422977 0.77 PDPK1 (0.48) PDPK1CDK5CDK5R1CYP2A6ADORA2A
SCHEMBL6798332 0.73 PDPK1 (0.33) PDPK1CYP2A6ADORA2AADORA1METAP1
SCHEMBL4211068 0.69 ALDH1A1 (0.37) PDPK1CDK5CDK5R1ADORA2AADORA1
SCHEMBL10917272 0.66 ADORA1 (0.45) PDPK1CYP2A6ADORA2AADORA1METAP1
SCHEMBL7108445 0.66 SMPD3 (0.40) PDPK1CYP2A6ADORA1RAB9A
SCHEMBL30977584 0.65 PDPK1 (0.42) PDPK1CYP2A6ADORA2AADORA1METAP1
SCHEMBL8066803 0.64 ADORA2A (0.33) ADORA2AADORA1
Tert-Butyl Formate SCHEMBL27967550 0.63 TDP1 (0.35) PDPK1CYP2A6ADORA2AADORA1METAP1
SCHEMBL5902312 0.62 RAB9A (0.48) PDPK1CYP2A6ADORA2AADORA1METAP1
SCHEMBL4078462 0.62 PDPK1 (0.43) PDPK1CYP2A6ADORA2AADORA1METAP1

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
EP-1385379-B1 INSECTICIDE AND METHOD OF CONTROLLING INSECTS NUFARM AUSTRALIA LTD (AU) 2008-08-06 EP disclosed
US-7217831-B2 Insecticide and method of controlling insects NUFARM - AUSTRALIA LIMITED (AU) 2007-05-15 US disclosed
US-20040176424-A1 Insecticide and method of controlling insects NUFARM AUSTRALIA LIMITED (AU) 2004-09-09 US disclosed
EP-1385379-A4 INSECTICIDE AND METHOD OF CONTROLLING INSECTS NUFARM AUSTRALIA LTD (AU) 2004-06-23 EP disclosed
EP-1385379-A1 INSECTICIDE AND METHOD OF CONTROLLING INSECTS NUFARM AUSTRALIA LIMITED (AU) 2004-02-04 EP disclosed
WO-2002078448-A1 INSECTICIDE AND METHOD OF CONTROLLING INSECTS NUFARM AUSTRALIA LIMITED (AU) 2002-10-10 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-20040176424-A1 Insecticide and method of controlling insects DDT, CYP2B6, NR4A1 PDPK1 4030/4885CDK5 3792/4885CDK5R1 3068/4885

“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.