SCHEMBL1654705

SCHEMBL1654705

O=C(O)c1nc(Cl)nc2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.39
DYRK1A Q13627 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
AXL P30530 2/20 0.37
PRKCI P41743 2/20 0.37
JAK3 P52333 1/20 0.36
KMO O15229 2/20 0.36
NOTUM Q6P988 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
AURKA O14965 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
NUDT1 P36639 1/20 0.34

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
SCHEMBL1654481 0.82 NPSR1 (0.41) PDK1DYRK1AADORA2AADORA1AXL
SCHEMBL14774637 0.79 ADORA2A (0.41) DYRK1AADORA2AADORA1JAK3KMO
SCHEMBL3655720 0.75 ADORA2A (0.41) ADORA2AADORA1
SCHEMBL31514673 0.74 PRKCI (0.41) PDK1DYRK1AADORA2AADORA1AXL
SCHEMBL691603 0.74 PRKCI (0.44) PDK1DYRK1AADORA2AADORA1AXL
SCHEMBL29700716 0.74 PRKCI (0.44) PDK1DYRK1AADORA2AADORA1AXL
SCHEMBL27912585 0.73 AXL (0.33) PDK1DYRK1AADORA2AADORA1AXL
SCHEMBL29495204 0.72 CD38 (0.39) DYRK1AKMOAURKATPX2
SCHEMBL9918650 0.72 AXL (0.41) AXLPRKCIJAK3KMONOTUM
SCHEMBL3491733 0.71 JAK3 (0.59) JAK3NOTUMJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488518-A2 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2012-08-22 EP disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
CN-102574849-A Herbicidal compounds SYNGENTA LTD 2012-07-11 CN disclosed
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO PDK1 2754/4885DYRK1A 520/4885ADORA2A 2029/4885

“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.