SCHEMBL2408413

SCHEMBL2408413

Cc1cccc(-c2nc(Cl)c3sccc3n2)n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.60
ADORA2A P29274 4/20 0.53
ADORA1 P30542 4/20 0.53
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
AXL P30530 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAPK14 Q16539 1/20 0.39
SLC2A1 P11166 2/20 0.38
POLB P06746 1/20 0.36
GRM5 P41594 1/20 0.35
METAP1 P53582 1/20 0.35

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
SCHEMBL4740163 0.77 METAP1 (0.60) TGFBR1ADORA2AADORA1CCR1CCR8
SCHEMBL30443483 0.77 CCR1 (0.42) TGFBR1ADORA2AADORA1CCR1CCR8
SCHEMBL2409139 0.75 PDE4A (0.41) TGFBR1ADORA2AAXLMKNK1MKNK2
SCHEMBL2913742 0.75 METAP1 (0.62) TGFBR1CCR1CCR8MAPK14METAP1
SCHEMBL14103869 0.75 RAB9A (0.47) AXLMKNK1MKNK2MAPK14POLB
SCHEMBL14104139 0.73 RAB9A (0.50) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL4744102 0.72 PDE4A (0.56) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL8544228 0.72 LMNA (0.56) TGFBR1CCR1CCR8MAPK14GRM5
SCHEMBL13789329 0.72 AXL (0.42) TGFBR1ADORA2AADORA1AXLMKNK1
SCHEMBL6687454 0.72 TGFBR1 (0.72) TGFBR1ADORA2AADORA1MAPK14SLC2A1

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-2539338-A1 NOVEL MICROBICIDES Syngenta Participations AG (CH) 2013-01-02 EP claimed
US-20120316184-A1 NOVEL MICROBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-12-13 US claimed
WO-2011104183-A1 NOVEL MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-01 WO claimed
EP-2539338-A1 NOVEL MICROBICIDES Syngenta Participations AG (CH) 2013-01-02 EP disclosed
US-20120316184-A1 NOVEL MICROBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-12-13 US disclosed
WO-2011104183-A1 NOVEL MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-01 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-20120316184-A1 NOVEL MICROBICIDES NOX1, MSR1, FPR1 TGFBR1 1674/4885ADORA2A 1826/4885ADORA1 1044/4885

“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.