SCHEMBL1718928

SCHEMBL1718928

CC(=O)Nc1cccc(-c2ccnc3[nH]ccc23)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.53
ROCK1 Q13464 4/20 0.53
JAK2 O60674 2/20 0.53
PRKACA P17612 2/20 0.53
JAK3 P52333 2/20 0.53
PRKCQ Q04759 2/20 0.53
ROCK2 O75116 1/20 0.53
PRKCA P17252 1/20 0.53
FLT3 P36888 1/20 0.53
GSK3B P49841 1/20 0.53
PRKCD Q05655 1/20 0.53
TGFBR1 P36897 4/20 0.48
TGFBR2 P37173 4/20 0.48
NUDT1 P36639 3/20 0.47
CIT O14578 3/20 0.46
IKBKB O14920 2/20 0.46
CHUK O15111 2/20 0.46
DAPK3 O43293 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46

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
SCHEMBL1719640 0.84 PRKCI (0.56) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL12347990 0.82 PRKCI (0.56) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL1718141 0.82 ROCK1 (0.68) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL21672562 0.78 PRKCI (0.45) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL29393217 0.78 PRKCI (0.45) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL12127503 0.78 PRKCI (0.53) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL12127819 0.77 PRKCI (0.63) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL14493857 0.77 PRKCI (0.52) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL27893877 0.77 PRKCI (0.52) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL1718147 0.76 ROCK1 (0.66) PRKCIROCK1JAK2PRKACAJAK3

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 PRKCI 23/4885ROCK1 5/4885JAK2 1/4885

“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.