SCHEMBL2684115

SCHEMBL2684115

C=Cc1c(NCc2ncccc2C)nc(-c2ccc(Cl)c(N(C)C)c2F)nc1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.33
ADORA2A P29274 7/20 0.33
ADORA1 P30542 5/20 0.33
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CTNNB1 P35222 1/20 0.31
TCF7L2 Q9NQB0 1/20 0.31
PTK2 Q05397 4/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL2683282 0.90 ADORA2A (0.35) JAK3ADORA2AADORA1CTNNB1TCF7L2
SCHEMBL10087226 0.85 CTNNB1 (0.41) CTNNB1TCF7L2MEN1ALDH1A1MAPT
SCHEMBL10087223 0.83 ALDH1A1 (0.37) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL2684112 0.83 ACLY (0.30)
SCHEMBL2683381 0.83 ACLY (0.37) JAK3ADORA2AADORA1CDK2CDK9
SCHEMBL10087225 0.81 CYP1A2 (0.33) JAK3CTNNB1TCF7L2MEN1ALDH1A1
SCHEMBL2684322 0.81 HTT (0.40) MEN1ALDH1A1MAPTKMT2A
SCHEMBL2684385 0.79 CYP1A2 (0.42) MEN1ALDH1A1MAPTKMT2A
SCHEMBL119041 0.77 KDM4E (0.33) MEN1ALDH1A1KMT2A
SCHEMBL2683279 0.75 HCRTR1 (0.31) MEN1KMT2A

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 3 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
WO-2010125332-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA LIMITED (GB) 2010-11-04 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-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG JAK3 1010/4885ADORA2A 1356/4885ADORA1 2399/4885

“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.