SCHEMBL10124877

SCHEMBL10124877

COCCNC(=O)c1ccc(-c2ccnc3[nH]ccc23)s1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.57
NEK1 Q96PY6 2/20 0.49
CIT O14578 1/20 0.45
AKT3 Q9Y243 3/20 0.44
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
AKT2 P31751 1/20 0.41
TEC P42680 1/20 0.41
TXK P42681 1/20 0.41
BTK Q06187 1/20 0.41
ITK Q08881 1/20 0.41
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
NUDT1 P36639 1/20 0.40

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
SCHEMBL10125362 0.89 AKT1 (0.59) AKT1NEK1AKT3ROCK1CCNK
SCHEMBL14493840 0.88 NEK1 (0.64) AKT1NEK1CITAKT3ROCK1
SCHEMBL4592540 0.88 AKT1 (0.67) AKT1NEK1AKT3ROCK1AKT2
SCHEMBL12346430 0.86 AKT1 (0.61) AKT1NEK1CITAKT3ROCK2
SCHEMBL12346484 0.84 AKT1 (0.56) AKT1NEK1AKT3AKT2TEC
SCHEMBL10124948 0.83 AKT1 (0.53) AKT1NEK1CITAKT3ROCK2
SCHEMBL10124969 0.83 AKT1 (0.62) AKT1NEK1CITROCK1TEC
SCHEMBL14494287 0.81 AKT1 (0.58) AKT1NEK1CITAKT3AKT2
SCHEMBL14493838 0.80 AKT1 (0.66) AKT1CITIKBKBCHUK
SCHEMBL4791074 0.80 AKT1 (0.58) AKT1NEK1CITROCK1IKBKB

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 7 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
EP-2354139-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
EP-2354140-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 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 109/4885NEK1 668/4885CIT 54/4885

“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.