SCHEMBL5828093

SCHEMBL5828093

CN1C(=O)C(Br)=C(c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.49
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
CYP2C19 P33261 1/20 0.43
CDK2 P24941 3/20 0.40
CCNE1 P24864 2/20 0.40
CCNT1 O60563 1/20 0.40
PIM1 P11309 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
MET P08581 1/20 0.38
GSK3B P49841 1/20 0.37
CA12 O43570 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
SCHEMBL5828430 0.83 SIRT2 (0.57) HTR6CCNCCDK8CYP2C19CDK2
SCHEMBL5828511 0.83 CDK2 (0.56) HTR6CCNCCDK8CYP2C19CDK2
SCHEMBL5828437 0.80 HTR6 (0.41) HTR6CCNCCDK8CYP2C19CDK2
SCHEMBL27973935 0.76 HTR6 (0.54) HTR6CCNCCDK8CYP2C19CDK2
SCHEMBL1049380 0.76 HTR6 (0.55) HTR6CCNCCDK8CYP2C19CDK2
SCHEMBL29605131 0.76 HTR6 (0.46) HTR6CCNCCDK8CYP2C19CDK2
SCHEMBL27967192 0.74 HTR6 (0.47) HTR6CCNCCDK8CYP2C19CDK2
SCHEMBL26969378 0.73 CYP2C19 (0.47) HTR6CCNCCDK8CYP2C19CDK2
SCHEMBL1773129 0.73 HTR6 (0.58) HTR6CYP2C19CDK2CCNE1PTGDR2
SCHEMBL1773809 0.73 HTR6 (0.50) HTR6CCNCCDK8CYP2C19CDK2

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 4 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
EP-1409486-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) 2004-04-21 EP disclosed
WO-2003002563-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) 2003-01-09 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-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 HTR6 148/4885CCNC 1770/4885CDK8 2662/4885

“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.