SCHEMBL1719640

SCHEMBL1719640

O=C(Nc1cccc(-c2ccnc3[nH]ccc23)n1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ROCK1 Q13464 3/20 0.49
MAP4K4 O95819 2/20 0.49
CDK8 P49336 2/20 0.49
DYRK1A Q13627 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
DYRK1B Q9Y463 2/20 0.49
JAK2 O60674 2/20 0.49
PRKACA P17612 2/20 0.49
JAK3 P52333 2/20 0.49
PRKCQ Q04759 2/20 0.49
AURKB Q96GD4 2/20 0.49
IKBKB O14920 2/20 0.49
CHUK O15111 2/20 0.49
DAPK3 O43293 1/20 0.49
PRKD3 O94806 1/20 0.49
PAK4 O96013 1/20 0.49
CSF1R P07333 1/20 0.49

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
SCHEMBL1718928 0.84 PRKCI (0.53) PRKCIROCK1MAP4K4CDK8DYRK1A
SCHEMBL1718141 0.83 ROCK1 (0.68) PRKCIMEN1KMT2AROCK1MAP4K4
SCHEMBL4791921 0.77 AURKB (0.63) PRKCIROCK1MAP4K4CDK8DYRK1A
SCHEMBL4772895 0.76 ROCK2 (0.67) PRKCIROCK1MAP4K4CDK8DYRK1A
Hydrochloric Acid SCHEMBL30976603 0.75 ROCK2 (0.67) PRKCIROCK1MAP4K4CDK8DYRK1A
SCHEMBL4791072 0.75 NEK1 (0.65) PRKCIROCK1MAP4K4CDK8DYRK1A
SCHEMBL12347990 0.74 PRKCI (0.56) PRKCIROCK1MAP4K4CDK8DYRK1A
SCHEMBL12346218 0.74 CYP2D6 (0.50) PRKCIROCK1MAP4K4CDK8DYRK1A
SCHEMBL12127208 0.74 PRKCI (1.00) PRKCIROCK1MAP4K4CDK8DYRK1A
SCHEMBL8941849 0.73 AXL (0.57) MEN1KMT2AROCK1MAP4K4CDK8

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
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-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
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
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 PRKCI 23/4885MEN1 2060/4885KMT2A 2135/4885

“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.