SCHEMBL2986296

SCHEMBL2986296

Cc1cc2c(-c3ccc(S(=O)(=O)NCC(C)(C)OC(=O)C(F)(F)F)s3)ccnc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.61
IKBKB O14920 12/20 0.49
CHUK O15111 12/20 0.49
ROCK1 Q13464 1/20 0.40
AURKB Q96GD4 1/20 0.37
AURKAIP1 Q9NWT8 1/20 0.37
AAK1 Q2M2I8 3/20 0.37
CIT O14578 2/20 0.36
HIPK4 Q8NE63 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
BMP2K Q9NSY1 1/20 0.36
KIT P10721 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL2988574 0.91 MAP3K5 (0.49) MAP3K5IKBKBCHUKCITMAPT
Trifluoroacetic Acid SCHEMBL2986293 0.86 MAP3K5 (0.64) MAP3K5IKBKBCHUKROCK1AURKB
SCHEMBL2984036 0.84 MAP3K5 (0.71) MAP3K5IKBKBCHUKROCK1AURKB
SCHEMBL2996355 0.84 MAP3K5 (0.61) MAP3K5IKBKBCHUKROCK1AURKB
SCHEMBL2982131 0.84 MAP3K5 (0.61) MAP3K5IKBKBCHUKROCK1AURKB
SCHEMBL3416175 0.83 IKBKB (0.71) IKBKBCHUKROCK1AURKBAURKAIP1
SCHEMBL2984111 0.83 MAP3K5 (0.57) MAP3K5IKBKBCHUKROCK1AURKB
SCHEMBL2989888 0.82 MAP3K5 (0.61) MAP3K5IKBKBCHUKROCK1AURKB
SCHEMBL2993108 0.82 IKBKB (0.56) MAP3K5IKBKBCHUKROCK1AURKB
SCHEMBL2991656 0.80 MAP3K5 (0.56) MAP3K5IKBKBCHUKROCK1AURKB

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 1 patent. 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

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.