SCHEMBL6502889

SCHEMBL6502889

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.43
PIK3CG P48736 2/20 0.43
MAOA P21397 1/20 0.42
CNR2 P34972 4/20 0.38
CNR1 P21554 2/20 0.35
MTOR P42345 1/20 0.35
PIK3R1 P27986 1/20 0.35
ACACB O00763 1/20 0.35
S1PR3 Q99500 5/20 0.34
S1PR1 P21453 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ROCK2 O75116 1/20 0.33
HSD17B13 Q7Z5P4 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
SCHEMBL6526700 0.90 PIK3CD (0.44) PIK3CDPIK3CGMAOACNR2MTOR
SCHEMBL6494976 0.90 PIK3CD (0.44) PIK3CDPIK3CGMAOACNR2MTOR
SCHEMBL69203 0.79 CNR2 (0.37) CNR2CNR1ACACBS1PR3S1PR1
SCHEMBL6684535 0.76 GLA (0.37) CNR2MEN1KMT2A
SCHEMBL68154 0.75 SLC6A9 (0.38) CNR2CNR1S1PR3S1PR1MEN1
SCHEMBL6030958 0.74 MAPK1 (0.37) CNR2CNR1S1PR3S1PR1
SCHEMBL13913997 0.72 ACACB (0.42) ACACBS1PR3S1PR1KMT2A
SCHEMBL2428916 0.71 CNR2 (0.39) CNR2CNR1ACACBS1PR3S1PR1
SCHEMBL28975271 0.69 KDM4C (0.43) ACACBS1PR3S1PR1MEN1KMT2A
SCHEMBL3457836 0.68 PTGER4 (0.43) CNR2CNR1S1PR3S1PR1MEN1

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-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 claimed
EP-1485372-A2 BICYCLIC FUSED PYRIDINYL AMIDES AND ADVANTAGEOUS COMPOSITIONS THEREOF FOR USE AS FUNGICIDES E. I. du Pont de Nemours and Company (US) 2004-12-15 EP claimed
WO-2003080596-A2 BICYCLIC FUSED PYRIDINYL AMIDES AND ADVANTAGEOUS COMPOSITIONS THEREOF FOR USE AS FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-10-02 WO claimed
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.