SCHEMBL2991397

SCHEMBL2991397

O=S(=O)(NC1CCNCC1)c1ccc(-c2ccnc3[nH]c(C(F)F)cc23)cn1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 17/20 0.59
CHUK O15111 17/20 0.59
CIT O14578 1/20 0.42
CASP3 P42574 1/20 0.42
CDK9 P50750 1/20 0.42
CASP7 P55210 1/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
CYP2C9 P11712 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
SCHEMBL2988214 0.91 IKBKB (0.62) IKBKBCHUKCASP3CDK9CASP7
SCHEMBL2982089 0.89 IKBKB (0.65) IKBKBCHUKCITCYP2C9
SCHEMBL2982091 0.89 IKBKB (0.75) IKBKBCHUKCITCYP2C9
SCHEMBL3417524 0.87 IKBKB (0.65) IKBKBCHUKCITCASP3CDK9
SCHEMBL2996331 0.85 IKBKB (0.79) IKBKBCHUKCASP3CDK9CASP7
Formic Acid SCHEMBL4931117 0.85 IKBKB (0.60) IKBKBCHUKCITCYP2C9
SCHEMBL2981756 0.85 IKBKB (0.59) IKBKBCHUKCITCASP3CDK9
SCHEMBL2986634 0.83 IKBKB (0.64) IKBKBCHUKCASP3CDK9CASP7
SCHEMBL2990137 0.81 IKBKB (0.59) IKBKBCHUKCDK9ALOX5APFEN1
SCHEMBL2984340 0.80 IKBKB (0.80) IKBKBCHUKCASP3CDK9CASP7

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-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
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 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-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.