SCHEMBL1717834

SCHEMBL1717834

c1cc(CN2CCOCC2)cc(-c2ccnc3[nH]ccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 1/20 0.53
NUDT1 P36639 2/20 0.53
TBK1 Q9UHD2 1/20 0.52
ROCK1 Q13464 2/20 0.51
ROCK2 O75116 1/20 0.51
CHUK O15111 3/20 0.50
LRRK2 Q5S007 3/20 0.50
PRKCQ Q04759 2/20 0.50
IKBKB O14920 2/20 0.50
MAPK8 P45983 2/20 0.50
DAPK3 O43293 1/20 0.50
JAK2 O60674 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
CSF1R P07333 1/20 0.50
RET P07949 1/20 0.50
IGF1R P08069 1/20 0.50
FGFR1 P11362 1/20 0.50
PRKACA P17612 1/20 0.50

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
SCHEMBL1719331 0.89 NUDT1 (0.55) NEK1NUDT1ROCK1ROCK2CHUK
SCHEMBL1718693 0.87 NUDT1 (0.53) NUDT1ROCK1ROCK2CHUKLRRK2
SCHEMBL4792087 0.86 NEK1 (0.62) NEK1TBK1ROCK1CHUKLRRK2
SCHEMBL4791480 0.85 MAP3K9 (0.52) NEK1NUDT1ROCK1ROCK2CHUK
SCHEMBL12127519 0.81 TTBK1 (0.56) NEK1NUDT1TBK1ROCK1CHUK
SCHEMBL14494697 0.77 NUDT1 (0.64) NUDT1ROCK1CHUKLRRK2PRKCQ
SCHEMBL856851 0.77 IKBKB (0.66) NEK1NUDT1ROCK1CHUKLRRK2
SCHEMBL4791235 0.77 NUDT1 (0.64) NUDT1ROCK1CHUKLRRK2PRKCQ
SCHEMBL1718801 0.77 PRKCI (0.63) NEK1NUDT1ROCK1ROCK2CHUK
SCHEMBL4937481 0.77 USP7 (0.54) LRRK2CNR1CNR2PSMB8NCF1

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 13 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-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
EP-1881983-A1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE Vertex Pharmaceuticals, Inc. (US) 2008-01-30 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
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 US disclosed
WO-2006127587-A1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-30 WO 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 NEK1 668/4885NUDT1 2466/4885TBK1 136/4885

“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.