SCHEMBL1718147

SCHEMBL1718147

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.66
JAK2 O60674 3/20 0.66
PRKCQ Q04759 3/20 0.66
PRKACA P17612 2/20 0.66
JAK3 P52333 2/20 0.66
ROCK2 O75116 2/20 0.66
PRKCA P17252 2/20 0.66
PRKCD Q05655 2/20 0.66
FLT3 P36888 1/20 0.66
GSK3B P49841 1/20 0.66
PRKCI P41743 3/20 0.51
IKBKB O14920 3/20 0.47
CHUK O15111 3/20 0.47
AURKB Q96GD4 3/20 0.47
DAPK3 O43293 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47

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
SCHEMBL1718292 0.85 JAK2 (0.72) ROCK1JAK2PRKCQPRKACAJAK3
SCHEMBL10125013 0.84 ROCK1 (0.67) ROCK1JAK2PRKCQPRKACAJAK3
SCHEMBL12346400 0.83 JAK2 (0.57) ROCK1JAK2PRKCQPRKACAJAK3
SCHEMBL10124898 0.80 JAK2 (1.00) ROCK1JAK2PRKCQPRKACAJAK3
SCHEMBL12127503 0.76 PRKCI (0.53) ROCK1JAK2PRKCQPRKACAJAK3
SCHEMBL1718928 0.76 PRKCI (0.53) ROCK1JAK2PRKCQPRKACAJAK3
SCHEMBL12127819 0.75 PRKCI (0.63) ROCK1JAK2PRKCQPRKACAJAK3
SCHEMBL1717896 0.75 PRKCI (0.58) ROCK1JAK2PRKCQPRKACAJAK3
SCHEMBL1719640 0.73 PRKCI (0.56) ROCK1JAK2PRKCQPRKACAJAK3
SCHEMBL1718593 0.72 PRKCI (0.63) ROCK1JAK2PRKCQPRKACAJAK3

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 14 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
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-1881983-B1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2012-01-11 EP disclosed
EP-2354140-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
EP-2354139-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
EP-2354139-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
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 1/4885PRKCQ 21/4885

“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.