SCHEMBL1718599

SCHEMBL1718599

Nc1cccc(-c2ccnc3[nH]ccc23)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.69
PRKCI P41743 7/20 0.67
IKBKB O14920 4/20 0.67
CHUK O15111 4/20 0.67
AURKB Q96GD4 2/20 0.67
DAPK3 O43293 1/20 0.67
JAK2 O60674 1/20 0.67
PRKD3 O94806 1/20 0.67
MAP4K4 O95819 1/20 0.67
PAK4 O96013 1/20 0.67
CSF1R P07333 1/20 0.67
RET P07949 1/20 0.67
IGF1R P08069 1/20 0.67
FGFR1 P11362 1/20 0.67
PRKACA P17612 1/20 0.67
FLT1 P17948 1/20 0.67
LTK P29376 1/20 0.67
GRK5 P34947 1/20 0.67
KDR P35968 1/20 0.67
MAP2K2 P36507 1/20 0.67

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
SCHEMBL12127629 0.83 IKBKB (0.79) NUDT1PRKCIIKBKBCHUKAURKB
SCHEMBL857479 0.82 NUDT1 (1.00) NUDT1PRKCIIKBKBCHUKAURKB
SCHEMBL1717701 0.82 NUDT1 (0.69) NUDT1PRKCIIKBKBCHUKAURKB
SCHEMBL857421 0.82 NUDT1 (0.69) NUDT1PRKCIIKBKBCHUKAURKB
SCHEMBL857101 0.82 NUDT1 (0.69) NUDT1PRKCIIKBKBCHUKAURKB
SCHEMBL2239087 0.81 IKBKB (0.61) NUDT1PRKCIIKBKBCHUKAURKB
SCHEMBL4791235 0.81 NUDT1 (0.64) NUDT1PRKCIIKBKBCHUKAURKB
SCHEMBL4792517 0.81 IKBKB (0.70) NUDT1PRKCIIKBKBCHUKAURKB
SCHEMBL857275 0.80 IKBKB (1.00) NUDT1PRKCIIKBKBCHUKAURKB
SCHEMBL10125558 0.80 PRKCI (1.00) NUDT1PRKCIIKBKBCHUKAURKB

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 16 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
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-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
WO-2009094123-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-07-30 WO 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 (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 3161/4885PRKCI 46/4885IKBKB 436/4885
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase JAK2, JAK1, JAK3 NUDT1 2466/4885PRKCI 23/4885IKBKB 779/4885

“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.