SCHEMBL10124948

SCHEMBL10124948

COCCN(CCOC)C(=O)c1ccc(-c2ccnc3[nH]ccc23)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.53
CIT O14578 1/20 0.44
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
NEK1 Q96PY6 3/20 0.40
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
AKT2 P31751 1/20 0.40
AKT3 Q9Y243 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
NUDT1 P36639 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
AURKA O14965 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
SCHEMBL10124986 0.88 AKT1 (0.53) AKT1CITROCK2ROCK1NEK1
SCHEMBL10124957 0.84 AKT1 (0.55) AKT1CITNEK1CCNKCDK12
SCHEMBL10125099 0.83 AKT1 (0.55) AKT1CIT
SCHEMBL10124877 0.83 AKT1 (0.57) AKT1CITROCK2ROCK1NEK1
SCHEMBL10125161 0.83 AKT1 (0.53) AKT1CITNEK1AKT2AKT3
SCHEMBL14494538 0.81 AKT1 (0.47) AKT1CITROCK2ROCK1NEK1
SCHEMBL14494494 0.81 AKT1 (0.55) AKT1CITROCK1NEK1AKT2
SCHEMBL12346465 0.81 AKT1 (0.57) AKT1NEK1AKT2AKT3IKBKB
SCHEMBL14494491 0.80 AKT1 (0.48) AKT1CITROCK2ROCK1NEK1
SCHEMBL14494574 0.80 AKT1 (0.46) AKT1CITROCK2ROCK1NEK1

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-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 US disclosed
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 US disclosed
EP-1881983-B1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2012-01-11 EP disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 US disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 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-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase JAK2, JAK1, JAK3 AKT1 109/4885CIT 54/4885ROCK2 4/4885

“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.