SCHEMBL2988574

SCHEMBL2988574

CC(C)(CNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)s1)OC(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.49
IKBKB O14920 7/20 0.47
CHUK O15111 7/20 0.47
CIT O14578 1/20 0.39
MAPT P10636 3/20 0.34
CSNK1D P48730 1/20 0.33
MAPK14 Q16539 1/20 0.33
P2RY14 Q15391 3/20 0.32
PDPK1 O15530 1/20 0.32
TP53 P04637 1/20 0.32
NEK1 Q96PY6 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
SCHEMBL2986296 0.91 MAP3K5 (0.61) MAP3K5IKBKBCHUKCITMAPT
SCHEMBL2981752 0.87 MAP3K5 (0.55) MAP3K5IKBKBCHUKCITMAPT
Trifluoroacetic Acid SCHEMBL2988572 0.86 MAP3K5 (0.51) MAP3K5IKBKBCHUKCITMAPT
SCHEMBL2985551 0.84 MAP3K5 (0.53) MAP3K5IKBKBCHUKCITMAPT
SCHEMBL2997188 0.82 IKBKB (0.68) MAP3K5IKBKBCHUKCITCSNK1D
Trifluoroacetic Acid SCHEMBL2985548 0.81 IKBKB (0.62) MAP3K5IKBKBCHUKCITP2RY14
SCHEMBL2984098 0.81 MAP3K5 (0.54) MAP3K5IKBKBCHUKCITMAPT
SCHEMBL2993164 0.81 MAP3K5 (0.54) MAP3K5IKBKBCHUKCITMAPT
Trifluoroacetic Acid SCHEMBL2994701 0.80 MAP3K5 (0.66) MAP3K5IKBKBCHUKCITP2RY14
SCHEMBL2990272 0.79 IKBKB (0.52) MAP3K5IKBKBCHUKCITCSNK1D

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 3 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 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

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 MAP3K5 7/4885IKBKB 11/4885CHUK 22/4885

“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.