SCHEMBL2990137

SCHEMBL2990137

O=S(=O)(NC1CCNCC1)c1ccc(-c2ccnc3[nH]c(C(F)F)cc23)nc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.59
CHUK O15111 15/20 0.59
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
CYP2C9 P11712 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL2989601 0.91 IKBKB (0.61) IKBKBCHUKALOX5APFEN1CYP2C9
SCHEMBL13241069 0.90 IKBKB (0.58) IKBKBCHUKCYP2C9ALDH1A1
SCHEMBL2977819 0.89 IKBKB (0.75) IKBKBCHUKCYP2C9ALDH1A1
SCHEMBL2977817 0.88 IKBKB (0.64) IKBKBCHUKCYP2C9ALDH1A1
SCHEMBL3417524 0.87 IKBKB (0.65) IKBKBCHUKCYP2C9CDK9
SCHEMBL2987762 0.85 IKBKB (0.79) IKBKBCHUKROCK1
SCHEMBL2990350 0.85 IKBKB (0.59) IKBKBCHUKALOX5APFEN1
Formic Acid SCHEMBL4931117 0.83 IKBKB (0.60) IKBKBCHUKCYP2C9
SCHEMBL2977485 0.83 IKBKB (0.64) IKBKBCHUKALOX5APFEN1
SCHEMBL2991397 0.81 IKBKB (0.59) IKBKBCHUKALOX5APFEN1CYP2C9

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 22/4885ALOX5AP 1502/4885

“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.