SCHEMBL5828893

SCHEMBL5828893

O=C1C(c2c[nH]c3ncccc23)=C(c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)C(=O)N1COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.52
CCNE1 P24864 5/20 0.52
PIM1 P11309 2/20 0.42
HTR6 P50406 1/20 0.39
CDC7 O00311 4/20 0.38
DBF4 Q9UBU7 3/20 0.38
MET P08581 3/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
PDPK1 O15530 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK9 P50750 1/20 0.36
ROCK1 Q13464 2/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL5827925 0.92 SIRT2 (0.48) CDK2CCNE1PIM1HTR6CCNC
SCHEMBL5828128 0.92 CCNE1 (0.44) CDK2CCNE1PIM1HTR6CDC7
SCHEMBL5828437 0.85 HTR6 (0.41) CDK2CCNE1HTR6METCCNC
SCHEMBL5828511 0.84 CDK2 (0.56) CDK2CCNE1PIM1HTR6CDC7
SCHEMBL5828027 0.79 PIM1 (0.47) CDK2CCNE1PIM1CDC7DBF4
SCHEMBL5828430 0.75 SIRT2 (0.57) CDK2CCNE1PIM1HTR6CCNC
SCHEMBL5828685 0.72 PTGS2 (0.43) AKT1
SCHEMBL5828116 0.72 HTR6 (0.48) HTR6CYP3A4
SCHEMBL5828106 0.71 LMNA (0.41) PIM1AKT1
SCHEMBL5828083 0.71 PTGS2 (0.44) AKT1

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-7001906-B2 Pyrido-pyrido-pyrrolo pyrrolo-indole and pyrido-pyrrolo pyrrolo carbazole derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives LES LABORATOIRES SERVIER (FR) 2006-02-21 US disclosed
US-20040152721-A1 Pyrido-pyrido-pyrrolo pyrrolo-indole and pyrido-pyrrolo pyrrolo carbazole derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives LES LABORATOIRES SERVIER (FR) 2004-08-05 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-20040152721-A1 Pyrido-pyrido-pyrrolo pyrrolo-indole and pyrido-pyrrolo pyrrolo carbazole derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives PYM1, PNPO, IDO1 CDK2 988/4885CCNE1 1090/4885PIM1 1680/4885

“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.