SCHEMBL10125013

SCHEMBL10125013

CC(C)(C(=O)CC#N)c1cccc(-c2ccnc3[nH]ccc23)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.67
JAK2 O60674 4/20 0.67
JAK3 P52333 3/20 0.67
ROCK2 O75116 2/20 0.67
PRKCA P17252 2/20 0.67
PRKCQ Q04759 2/20 0.67
PRKCD Q05655 2/20 0.67
PRKACA P17612 1/20 0.67
FLT3 P36888 1/20 0.67
GSK3B P49841 1/20 0.67
PRKCI P41743 2/20 0.44
NEK1 Q96PY6 1/20 0.41
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
BRAF P15056 1/20 0.40
NUDT1 P36639 3/20 0.40
CIT O14578 4/20 0.40
LATS1 O95835 1/20 0.39
LATS2 Q9NRM7 1/20 0.39
CCNK O75909 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
SCHEMBL1718147 0.84 ROCK1 (0.66) ROCK1JAK2JAK3ROCK2PRKCA
SCHEMBL10124898 0.80 JAK2 (1.00) ROCK1JAK2JAK3ROCK2PRKCA
SCHEMBL1718292 0.79 JAK2 (0.72) ROCK1JAK2JAK3ROCK2PRKCA
SCHEMBL12346400 0.79 JAK2 (0.57) ROCK1JAK2JAK3ROCK2PRKCA
SCHEMBL10124899 0.71 PRKCI (0.58) ROCK1JAK2JAK3ROCK2PRKCA
SCHEMBL12127503 0.70 PRKCI (0.53) ROCK1JAK2JAK3ROCK2PRKCA
SCHEMBL1718928 0.70 PRKCI (0.53) ROCK1JAK2JAK3ROCK2PRKCA
SCHEMBL10124888 0.70 JAK3 (0.52) ROCK1JAK2JAK3ROCK2PRKCA
SCHEMBL12127819 0.70 PRKCI (0.63) ROCK1JAK2JAK3ROCK2PRKCA
SCHEMBL1717896 0.69 PRKCI (0.58) ROCK1JAK2JAK3ROCK2PRKCA

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 9 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
CN-101228161-B Pyrrolopyridines useful as protein kinase inhibitors VERTEX PHARMA 2012-10-10 CN 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
CN-101228161-A Pyrrolopyridines useful as protein kinase inhibitors VERTEX PHARMA (US) 2008-07-23 CN 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 ROCK1 5/4885JAK2 1/4885JAK3 3/4885

“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.