SCHEMBL1719613

SCHEMBL1719613

c1csc(-c2ccnc3[nH]ccc23)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 5/20 0.57
PRKCI P41743 4/20 0.55
AURKB Q96GD4 3/20 0.54
IKBKB O14920 3/20 0.54
CHUK O15111 3/20 0.54
IGF1R P08069 2/20 0.54
DYRK1B Q9Y463 2/20 0.54
DAPK3 O43293 1/20 0.54
JAK2 O60674 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
PAK4 O96013 1/20 0.54
CSF1R P07333 1/20 0.54
RET P07949 1/20 0.54
FGFR1 P11362 1/20 0.54
PRKACA P17612 1/20 0.54
FLT1 P17948 1/20 0.54
LTK P29376 1/20 0.54
GRK5 P34947 1/20 0.54
KDR P35968 1/20 0.54

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
SCHEMBL2240671 0.80 AURKB (0.71) NUDT1PRKCIAURKBIKBKBCHUK
SCHEMBL25324172 0.79 CSNK1D (0.63) NUDT1AURKBIKBKBCHUKIGF1R
SCHEMBL30509435 0.79 CSNK1D (0.63) NUDT1AURKBIKBKBCHUKIGF1R
SCHEMBL22620293 0.78 JAK2 (0.42) NUDT1PRKCIAURKBIKBKBCHUK
SCHEMBL10125564 0.76 NUDT1 (0.64) NUDT1PRKCIAURKBIKBKBCHUK
SCHEMBL14494761 0.76 NUDT1 (0.64) NUDT1PRKCIAURKBIKBKBCHUK
SCHEMBL22954350 0.76 JAK1 (0.49) NUDT1PRKCIAURKBIKBKBCHUK
SCHEMBL29946359 0.75 AURKB (0.57) NUDT1PRKCIAURKBIKBKBCHUK
SCHEMBL858198 0.75 AURKB (0.57) NUDT1PRKCIAURKBIKBKBCHUK
SCHEMBL2241248 0.75 TGFBR1 (0.51) DAPK3MAP4K4PRKACACDK8CLK2

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 11 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
CN-101228161-B Pyrrolopyridines useful as protein kinase inhibitors VERTEX PHARMA 2012-10-10 CN disclosed
EP-1970445-B1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS RIKEN (JP) 2012-09-26 EP disclosed
EP-1881983-B1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2012-01-11 EP disclosed
US-8030478-B2 Method for nucleic acid replication and novel artificial base pairs RIKEN (JP) 2011-10-04 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-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS RIKEN (JP) 2010-02-11 US disclosed
EP-1970445-A1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS Riken (JP) 2008-09-17 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

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-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS POLM, POLL, POLRMT NUDT1 21/4885PRKCI 1166/4885AURKB 1337/4885
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase JAK2, JAK1, JAK3 NUDT1 2466/4885PRKCI 23/4885AURKB 478/4885

“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.