SCHEMBL2988677

SCHEMBL2988677

C[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C4CC4)cc23)nc1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.79
CHUK O15111 9/20 0.79
CYP2C9 P11712 1/20 0.59
CIT O14578 1/20 0.49
CDK9 P50750 10/20 0.45
CCNT1 O60563 3/20 0.45
CASP3 P42574 5/20 0.44
CASP7 P55210 5/20 0.44

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
SCHEMBL2991161 1.00 IKBKB (0.79) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL4891932 0.89 IKBKB (1.00) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL3411545 0.89 IKBKB (1.00) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL2991984 0.86 IKBKB (0.60) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL2977205 0.86 IKBKB (0.60) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL2987850 0.85 IKBKB (0.58) IKBKBCHUKCIT
SCHEMBL2991466 0.85 IKBKB (0.58) IKBKBCHUKCIT
SCHEMBL2986279 0.85 IKBKB (0.61) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL2986437 0.82 IKBKB (0.81) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL2987857 0.82 IKBKB (0.79) IKBKBCHUKCYP2C9CITCDK9

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 6 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
EP-2162455-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS Glaxo Group Limited (GB) 2010-03-17 EP claimed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 WO 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

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 22/4885CYP2C9 1488/4885

“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.