SCHEMBL5828511

SCHEMBL5828511

CN1C(=O)C(c2c[nH]c3ncccc23)=C(c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.56
CCNE1 P24864 4/20 0.56
PIM1 P11309 2/20 0.47
HTR6 P50406 2/20 0.46
PDPK1 O15530 2/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
TGFBR1 P36897 1/20 0.43
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
MET P08581 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
IDH1 O75874 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39

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 0.90 SIRT2 (0.57) CDK2CCNE1PIM1HTR6PDPK1
SCHEMBL5828893 0.84 CDK2 (0.52) CDK2CCNE1PIM1HTR6PDPK1
SCHEMBL5828093 0.83 HTR6 (0.49) CDK2CCNE1PIM1HTR6CCNC
SCHEMBL6575546 0.75 PIM1 (0.53) CDK2CCNE1PIM1PDPK1TGFBR1
SCHEMBL5828128 0.75 CCNE1 (0.44) CDK2CCNE1PIM1HTR6PDPK1
SCHEMBL5827925 0.75 SIRT2 (0.48) CDK2CCNE1PIM1HTR6CCNC
SCHEMBL12501042 0.74 PDPK1 (0.68) CDK2CCNE1PIM1HTR6PDPK1
SCHEMBL13204318 0.73 PIM1 (0.54) CDK2CCNE1PIM1PDPK1CDK8
SCHEMBL5828735 0.73 PIM1 (0.54) CDK2CCNE1PIM1PDPK1TGFBR1
SCHEMBL27973935 0.73 HTR6 (0.54) CDK2CCNE1HTR6PDPK1CCNC

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 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.