SCHEMBL6526700

SCHEMBL6526700

CC(NC(=O)c1c(Cl)ncc2ccccc12)c1ncc(Br)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.44
PIK3CG P48736 2/20 0.44
MAOA P21397 1/20 0.39
PIK3R1 P27986 1/20 0.36
CNR2 P34972 1/20 0.35
MTOR P42345 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
S1PR2 O95136 2/20 0.34
S1PR4 O95977 2/20 0.34
S1PR3 Q99500 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PTGFR P43088 1/20 0.33

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
SCHEMBL6494976 0.92 PIK3CD (0.44) PIK3CDPIK3CGMAOAPIK3R1CNR2
SCHEMBL6502889 0.90 PIK3CD (0.43) PIK3CDPIK3CGMAOAPIK3R1CNR2
SCHEMBL68154 0.81 SLC6A9 (0.38) CNR2MEN1KMT2AMAPK1NPC1
SCHEMBL6030958 0.78 MAPK1 (0.37) CNR2MAPK1S1PR3ALDH1A1
SCHEMBL13913997 0.74 ACACB (0.42) KMT2AMAPK1NPC1RAB9AS1PR3
SCHEMBL4614047 0.73 CNR2 (0.35) CNR2MAPK1NPC1RAB9AS1PR3
SCHEMBL69203 0.72 CNR2 (0.37) CNR2MEN1KMT2AMAPK1NPC1
SCHEMBL28975271 0.70 KDM4C (0.43) MEN1KMT2AS1PR3
SCHEMBL3457836 0.69 PTGER4 (0.43) CNR2MEN1KMT2ARAB9AS1PR3
SCHEMBL6031138 0.69 MEN1 (0.41) MEN1KMT2AS1PR2S1PR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020644-A1 Bicyclic fused pyridinyl amides and advantagesous compositons thereof for use as fungicides E.I. DU PONT DE NEMOURS AND COMPANY 2005-01-27 US 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-20050020644-A1 Bicyclic fused pyridinyl amides and advantagesous compositons thereof for use as fungicides CBR3, CBR1, PNPO PIK3CD 1034/4885PIK3CG 734/4885MAOA 143/4885

“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.