SCHEMBL1718573

SCHEMBL1718573

N#CCCN(CCC(F)(F)F)C(=O)c1csc(-c2ccnc3[nH]ccc23)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.46
JAK2 O60674 7/20 0.39
JAK1 P23458 6/20 0.39
JAK3 P52333 3/20 0.39
TYK2 P29597 1/20 0.39
CIT O14578 3/20 0.39
ROCK1 Q13464 3/20 0.39
ROCK2 O75116 1/20 0.37
PRKCA P17252 1/20 0.37
PRKACA P17612 1/20 0.37
FLT3 P36888 1/20 0.37
GSK3B P49841 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
NEK1 Q96PY6 1/20 0.36
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34

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
SCHEMBL10125181 0.92 NUDT1 (0.47) NUDT1JAK2JAK1JAK3TYK2
SCHEMBL10125538 0.84 NUDT1 (0.48) NUDT1JAK2JAK1JAK3TYK2
SCHEMBL10125205 0.84 NUDT1 (0.48) NUDT1JAK2JAK1JAK3TYK2
SCHEMBL10124992 0.80 NUDT1 (0.49) NUDT1JAK2JAK1CITROCK1
SCHEMBL10124999 0.76 NUDT1 (0.50) NUDT1JAK2JAK1JAK3TYK2
SCHEMBL10125534 0.75 NUDT1 (0.55) NUDT1JAK2JAK3CITROCK1
SCHEMBL1717982 0.72 NUDT1 (0.62) NUDT1JAK2JAK3CITROCK1
SCHEMBL12346646 0.72 NUDT1 (0.51) NUDT1JAK2JAK3CITROCK1
SCHEMBL10124998 0.71 ROCK1 (0.52) NUDT1JAK2JAK3CITROCK1
SCHEMBL14494538 0.70 AKT1 (0.47) NUDT1JAK2JAK1JAK3TYK2

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 10 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-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
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 NUDT1 2466/4885JAK2 1/4885JAK1 2/4885

“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.