SCHEMBL1719341

SCHEMBL1719341

Nc1cccc(-c2ccnc3[nH]ccc23)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.63
ROCK1 Q13464 3/20 0.57
JAK2 O60674 2/20 0.57
PRKACA P17612 2/20 0.57
JAK3 P52333 2/20 0.57
PRKCQ Q04759 2/20 0.57
ROCK2 O75116 2/20 0.57
PRKCA P17252 1/20 0.57
FLT3 P36888 1/20 0.57
GSK3B P49841 1/20 0.57
PRKCD Q05655 1/20 0.57
IKBKB O14920 4/20 0.54
CHUK O15111 4/20 0.54
CDK9 P50750 2/20 0.54
CDK5 Q00535 2/20 0.54
AURKB Q96GD4 2/20 0.54
DAPK3 O43293 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
PAK4 O96013 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
SCHEMBL12127819 0.82 PRKCI (0.63) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL1718593 0.82 PRKCI (0.63) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL1838740 0.81 CDK5 (0.64) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL27736585 0.79 IKBKB (0.58) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL1717896 0.78 PRKCI (0.58) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL4792616 0.78 PRKCI (0.58) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL10124899 0.78 PRKCI (0.58) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL22160800 0.78 BRAF (0.57) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL12127208 0.78 PRKCI (1.00) PRKCIROCK1JAK2PRKACAJAK3
SCHEMBL16113151 0.76 PRKCI (0.59) PRKCIROCK1JAK2PRKACAJAK3

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 5 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
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
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 23/4885ROCK1 5/4885JAK2 1/4885

“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.