SCHEMBL6808211

SCHEMBL6808211

CCc1cc(-c2ccncc2)cc(CC)c1C(C(N)=O)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.45
CDK8 P49336 5/20 0.45
CDC7 O00311 3/20 0.44
FTO Q9C0B1 2/20 0.42
LRRK2 Q5S007 3/20 0.41
CHUK O15111 3/20 0.41
IKBKB O14920 3/20 0.38
IKBKE Q14164 1/20 0.38
PKMYT1 Q99640 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
CYP17A1 P05093 1/20 0.37

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
SCHEMBL6803393 0.87 FTO (0.44) CCNCCDK8CDC7FTOCHUK
SCHEMBL4437714 0.74 CHUK (0.59) CCNCCDK8CDC7CHUKIKBKB
SCHEMBL6806730 0.73 ALOX15 (0.35)
SCHEMBL7620819 0.71 PTGS1 (0.45)
SCHEMBL28229035 0.70 BACE1 (0.37)
SCHEMBL61963 0.69 AAK1 (0.53) CHUKAAK1CYP17A1
SCHEMBL7619226 0.67 AKR1C3 (0.40) CCNCCDK8CDC7CHUKIKBKB
SCHEMBL18717123 0.67 ERN1 (0.48) CDC7FTOCHUKIKBKBIKBKE
SCHEMBL25138862 0.66 CDC7 (0.43) CCNCCDK8CDC7LRRK2CHUK
SCHEMBL933898 0.66 CYP17A1 (0.49) CCNCCDK8LRRK2CHUKAAK1

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-20040198797-A1 Process for the preparation of herbicidal derivatives MAETZKE THOMAS (CH) 2004-10-07 US disclosed
EP-1183317-B1 PROCESS FOR THE PREPARATION OF HERBICIDAL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-09-17 EP disclosed
US-6552187-B1 Cyclization condensation of arylmalonic acid diamides or arylmalonic acid monoamides with hydrazine derivatives forming substituted 3-hydroxy-4-aryl-5-oxopyrazolines; high yield and purity SYNGENTA CROP PROTECTION, INC. 2003-04-22 US disclosed
EP-1183317-A2 PROCESS FOR THE PREPARATION OF HERBICIDAL DERIVATIVES Syngenta Participations AG (CH) 2002-03-06 EP disclosed
WO-2000078881-A2 PROCESS FOR THE PREPARATION OF HERBICIDAL DERIVATIVES SYGENTA PARTICIPATIONS AG (CH) 2000-12-28 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-20040198797-A1 Process for the preparation of herbicidal derivatives CBR3, CBR1, CYC1 CCNC 81/4885CDK8 3217/4885CDC7 1306/4885

“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.