SCHEMBL10125136

SCHEMBL10125136

Fc1ccc(-c2ccnc3[nH]ccc23)c(F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 5/20 0.68
MAPK14 Q16539 3/20 0.52
CSNK1D P48730 2/20 0.52
MAPK11 Q15759 1/20 0.52
CIT O14578 1/20 0.52
IGF1R P08069 2/20 0.51
DYRK1B Q9Y463 2/20 0.51
AURKB Q96GD4 2/20 0.51
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
DAPK3 O43293 1/20 0.51
JAK2 O60674 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
CSF1R P07333 1/20 0.51
RET P07949 1/20 0.51
FGFR1 P11362 1/20 0.51
PRKACA P17612 1/20 0.51
FLT1 P17948 1/20 0.51

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
SCHEMBL12346364 0.85 NUDT1 (0.56) NUDT1MAPK14CSNK1DMAPK11CIT
SCHEMBL26953338 0.81 NUDT1 (0.59) NUDT1CITIGF1RDYRK1BAURKB
SCHEMBL31734872 0.81 NUDT1 (0.59) NUDT1CITIGF1RDYRK1BAURKB
SCHEMBL2240671 0.81 AURKB (0.71) NUDT1CITIGF1RDYRK1BAURKB
SCHEMBL4791546 0.81 NUDT1 (0.71) NUDT1MAPK14CSNK1DMAPK11CIT
SCHEMBL16967837 0.80 NUDT1 (0.54) NUDT1MAPK14CSNK1DMAPK11CIT
SCHEMBL12127926 0.79 IKBKB (0.70) NUDT1MAPK14CSNK1DMAPK11CIT
SCHEMBL12127576 0.79 NUDT1 (0.52) NUDT1MAPK14CSNK1DMAPK11CIT
SCHEMBL10125111 0.79 BRD4 (0.60) CDK9BRD4
SCHEMBL4495109 0.78 PDE3B (0.43) NUDT1MAPK14MAPK11CDK7CDK9

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 8 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
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US 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 (2 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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP3K19, MAP3K20, MAP3K1 NUDT1 3161/4885MAPK14 81/4885CSNK1D 76/4885
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase JAK2, JAK1, JAK3 NUDT1 2466/4885MAPK14 394/4885CSNK1D 601/4885

“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.