SCHEMBL2991670

SCHEMBL2991670

CC(C)(C)c1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)nc3)ccnc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.54
CHUK O15111 11/20 0.54
TDO2 P48775 1/20 0.41
PIK3C3 Q8NEB9 3/20 0.40
CCNT1 O60563 3/20 0.40
CDK9 P50750 3/20 0.40
STK25 O00506 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 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
Hydrochloric Acid SCHEMBL2985552 0.99 IKBKB (0.53) IKBKBCHUKTDO2PIK3C3CCNT1
Sulfuric Acid SCHEMBL2990135 0.98 IKBKB (0.52) IKBKBCHUKTDO2PIK3C3CCNT1
SCHEMBL2985051 0.90 IKBKB (0.51) IKBKBCHUKTDO2CCNT1CDK9
SCHEMBL2985053 0.90 IKBKB (0.57) IKBKBCHUKTDO2CCNT1CDK9
SCHEMBL2988576 0.89 IKBKB (0.58) IKBKBCHUKTDO2PIK3C3CCNT1
SCHEMBL3416031 0.86 IKBKB (0.62) IKBKBCHUKSTK25
SCHEMBL2986668 0.84 IKBKB (0.55) IKBKBCHUKTDO2PIK3C3CCNT1
Trifluoroacetic Acid SCHEMBL3411060 0.82 IKBKB (0.57) IKBKBCHUKCCNT1CDK9STK25
SCHEMBL2986432 0.81 IKBKB (0.51) IKBKBCHUKTDO2CCNT1CDK9
SCHEMBL2994708 0.81 IKBKB (0.51) IKBKBCHUKTDO2CCNT1CDK9

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 9 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
EP-2162455-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS Glaxo Group Limited (GB) 2010-03-17 EP disclosed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 WO 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 22/4885TDO2 1291/4885

“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.