SCHEMBL2683282

SCHEMBL2683282

COC(=O)c1nc(-c2ccc(Cl)c(N(C)C)c2F)nc(NCc2ncccc2C)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.35
ADORA1 P30542 9/20 0.35
CTNNB1 P35222 2/20 0.34
TCF7L2 Q9NQB0 2/20 0.34
HSP90AA1 P07900 1/20 0.33
JAK3 P52333 1/20 0.32
ABL1 P00519 1/20 0.31
SRC P12931 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
PIP4K2A P48426 1/20 0.30
BRD4 O60885 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
SCHEMBL2684115 0.90 JAK3 (0.33) ADORA2AADORA1CTNNB1TCF7L2HSP90AA1
SCHEMBL2682738 0.83 CTNNB1 (0.43) CTNNB1TCF7L2
SCHEMBL1610466 0.81 ALDH1A1 (0.39)
SCHEMBL2683279 0.81 HCRTR1 (0.31)
SCHEMBL2684428 0.81 ADORA2A (0.37) ADORA2AADORA1HSP90AA1ABL1SRC
SCHEMBL21584428 0.80 POLB (0.38) ADORA2AADORA1
SCHEMBL2683809 0.79 HTT (0.43)
SCHEMBL10087222 0.79 HSP90AA1 (0.36) CTNNB1TCF7L2HSP90AA1
SCHEMBL2684650 0.78 ADORA2A (0.41) ADORA2AADORA1JAK3ABL1SRC
SCHEMBL2683612 0.78 CYP1A2 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 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-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG ADORA2A 1356/4885ADORA1 2399/4885CTNNB1 2236/4885

“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.