SCHEMBL2990694

SCHEMBL2990694

CN(C1CCS(O)(O)CC1)S(=O)(=O)c1ccc(-c2ccnc3[nH]c(C(F)F)cc23)nc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 17/20 0.51
CHUK O15111 17/20 0.51
CIT O14578 1/20 0.36
AURKB Q96GD4 1/20 0.35
AURKAIP1 Q9NWT8 1/20 0.35
CYP2C9 P11712 1/20 0.33
CHEK1 O14757 1/20 0.32
PIK3CA P42336 1/20 0.32
ATR Q13535 1/20 0.32
CASP3 P42574 1/20 0.32
CDK9 P50750 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL2987932 0.92 IKBKB (0.51) IKBKBCHUKAURKBAURKAIP1CYP2C9
SCHEMBL2982390 0.92 IKBKB (0.60) IKBKBCHUKCITAURKBAURKAIP1
SCHEMBL2993304 0.88 IKBKB (0.66) IKBKBCHUKAURKBAURKAIP1CYP2C9
SCHEMBL2982113 0.85 IKBKB (0.54) IKBKBCHUKAURKBAURKAIP1CYP2C9
SCHEMBL2987934 0.84 IKBKB (0.61) IKBKBCHUKAURKBAURKAIP1
SCHEMBL2980626 0.84 IKBKB (0.51) IKBKBCHUKCITAURKBAURKAIP1
SCHEMBL2977817 0.83 IKBKB (0.64) IKBKBCHUKCITCYP2C9
SCHEMBL2993308 0.80 IKBKB (0.78) IKBKBCHUKAURKBAURKAIP1
SCHEMBL2982438 0.80 IKBKB (0.43) IKBKBCHUKCITCDK9
SCHEMBL3415914 0.78 IKBKB (0.62) IKBKBCHUKCITAURKBAURKAIP1

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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US claimed
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS NFKBIA, PACSIN2, MAP3K2 IKBKB 11/4885CHUK 22/4885CIT 843/4885

“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.