SCHEMBL2962371

SCHEMBL2962371

CC1NC(=O)C(c2cc(-n3cc(Cl)cn3)ccc2Cl)C1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 2/20 0.32
MAP4K4 O95819 1/20 0.32
CYP3A4 P08684 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
MTOR P42345 1/20 0.31
RPTOR Q8N122 1/20 0.31
MLST8 Q9BVC4 1/20 0.31
KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL2969282 0.74 MTOR (0.34) MTORRPTORMLST8
SCHEMBL13097122 0.71 RIPK2 (0.32) MKNK2MAP4K4CYP3A4MTORRPTOR
SCHEMBL13106048 0.71 CYP46A1 (0.33)
SCHEMBL6207995 0.69 PGR (0.40)
SCHEMBL8650400 0.69 GAA (0.54)
SCHEMBL11486255 0.68 NPC1 (0.43) CYP3A4
SCHEMBL13097121 0.65 GRM4 (0.35) CYP3A4
SCHEMBL8557122 0.65 GAA (0.42) CYP3A4
SCHEMBL4433341 0.62 GAA (0.40) SLC6A4
SCHEMBL27834563 0.62 MAP4K4 (0.54) MAP4K4MTORRPTORMLST8

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
US-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS FISCHER REINER 2010-10-21 US disclosed
US-7776791-B2 N-heterocyclyl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-08-17 US disclosed
US-20060166829-A1 N-Heterocycl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
EP-1638957-A1 N-HETEROCYCLYL PHENYL-SUBSTITUTED CYCLIC KETOENOLS Bayer CropScience AG (DE) 2006-03-29 EP disclosed
WO-2004111042-A1 N-HETEROCYCLYL PHENYL-SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-23 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 (2 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-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS CYP17A1, CCNY, CCNE2 MKNK2 1002/4885MAP4K4 714/4885CYP3A4 192/4885
US-20060166829-A1 N-Heterocycl phenyl-substituted cyclic ketoenols WEE1, KCNE1, CCNE1 MKNK2 1592/4885MAP4K4 1072/4885CYP3A4 69/4885

“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.