SCHEMBL13505099

SCHEMBL13505099

CC(=O)Cc1cc2c(Br)ccnc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.39
▸ IKBKB O14920 2/20 0.38
▸ CHUK O15111 2/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ DAO P14920 1/20 0.37
▸ CCNK O75909 8/20 0.36
▸ CDK12 Q9NYV4 8/20 0.36
▸ NUDT1 P36639 3/20 0.36
▸ ANO1 Q5XXA6 1/20 0.32
▸ PTK6 Q13882 1/20 0.31
▸ MET P08581 1/20 0.31

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
SCHEMBL3416746 0.87 PRKCI (0.40) PRKCIIKBKBCHUKROCK1DAO
SCHEMBL3417614 0.86 PRKCI (0.37) PRKCIIKBKBCHUKROCK1DAO
SCHEMBL2239319 0.85 CHUK (0.51) PRKCIIKBKBCHUKROCK1DAO
SCHEMBL3418231 0.85 PRKCI (0.40) PRKCIIKBKBCHUKROCK1DAO
SCHEMBL13013845 0.84 CCNK (0.39) PRKCIIKBKBCHUKROCK1DAO
SCHEMBL13507021 0.83 IKBKB (0.34) PRKCIIKBKBCHUKROCK1DAO
Trifluoroacetic Acid SCHEMBL3418240 0.80 IKBKB (0.35) PRKCIIKBKBCHUKROCK1DAO
SCHEMBL32671221 0.80 PRKCI (0.44) PRKCIIKBKBCHUKDAOCCNK
SCHEMBL3415216 0.79 SMN1; SMN2 (0.45) CDK12
SCHEMBL3418244 0.77 IKBKB (0.34) PRKCIIKBKBCHUKROCK1DAO

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-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-11 — — US disclosed
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 — — US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 — — 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 (3 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-20080176891-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE PRKCI 24/4885IKBKB 4/4885CHUK 8/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 PRKCI 373/4885IKBKB 428/4885CHUK 300/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE PRKCI 24/4885IKBKB 4/4885CHUK 8/4885

“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.

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