SCHEMBL4772891

SCHEMBL4772891

NC(=O)c1ccccc1-c1ccnc2[nH]ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 1.00
IKBKB O14920 4/20 0.60
CHUK O15111 4/20 0.60
PRKCI P41743 2/20 0.60
CSNK1A1 P48729 3/20 0.55
TYRO3 Q06418 3/20 0.55
DYRK1B Q9Y463 3/20 0.55
AURKB Q96GD4 3/20 0.55
DAPK3 O43293 2/20 0.55
JAK2 O60674 2/20 0.55
PRKD3 O94806 2/20 0.55
MAP4K4 O95819 2/20 0.55
PAK4 O96013 2/20 0.55
CSF1R P07333 2/20 0.55
RET P07949 2/20 0.55
FGFR1 P11362 2/20 0.55
PRKACA P17612 2/20 0.55
FLT1 P17948 2/20 0.55
LTK P29376 2/20 0.55
GRK5 P34947 2/20 0.55

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
SCHEMBL10125148 0.87 NUDT1 (0.77) NUDT1IKBKBCHUKPRKCICSNK1A1
SCHEMBL10125427 0.86 NUDT1 (0.75) NUDT1IKBKBCHUKPRKCICSNK1A1
SCHEMBL4764911 0.83 NUDT1 (0.71) NUDT1IKBKBCHUKPRKCICSNK1A1
SCHEMBL10125400 0.83 NUDT1 (0.71) NUDT1IKBKBCHUKPRKCICSNK1A1
SCHEMBL12348092 0.80 NUDT1 (0.67) NUDT1IKBKBCHUKPRKCICSNK1A1
SCHEMBL30563455 0.80 NUDT1 (0.67) NUDT1CSNK1A1TYRO3DYRK1BCDK9
SCHEMBL29665034 0.80 JAK2 (0.78) NUDT1IKBKBCHUKPRKCICSNK1A1
SCHEMBL2606616 0.80 NUDT1 (0.66) NUDT1IKBKBCHUKPRKCICSNK1A1
SCHEMBL30808539 0.80 NUDT1 (0.66) NUDT1IKBKBCHUKPRKCICSNK1A1
SCHEMBL4764920 0.79 PRKCI (0.86) NUDT1IKBKBCHUKPRKCICSNK1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP claimed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO claimed
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-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 2466/4885IKBKB 779/4885CHUK 297/4885

“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.