SCHEMBL1723765

SCHEMBL1723765

CC(Nc1ccnc(-c2ccnc3[nH]ccc23)n1)C(=O)NCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.50
JAK1 P23458 3/20 0.50
JAK2 O60674 2/20 0.50
PLK4 O00444 1/20 0.50
ROCK2 O75116 1/20 0.50
STK10 O94804 1/20 0.50
ABL1 P00519 1/20 0.50
PRKCB P05771 1/20 0.50
MET P08581 1/20 0.50
TOP2A P11388 1/20 0.50
PRKCA P17252 1/20 0.50
CSNK2A2 P19784 1/20 0.50
MARK3 P27448 1/20 0.50
TYK2 P29597 1/20 0.50
ABL2 P42684 1/20 0.50
CDK9 P50750 1/20 0.50
CDK17 Q00537 1/20 0.50
TOP2B Q02880 1/20 0.50
PRKCD Q05655 1/20 0.50
ROCK1 Q13464 1/20 0.50

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
SCHEMBL10125413 1.00 JAK3 (0.50) JAK3JAK1JAK2PLK4ROCK2
SCHEMBL1723763 1.00 JAK3 (0.50) JAK3JAK1JAK2PLK4ROCK2
SCHEMBL1724380 0.87 JAK2 (0.45) JAK3JAK1JAK2PLK4ROCK2
SCHEMBL16233104 0.87 JAK3 (0.67) JAK3JAK1JAK2PLK4ROCK2
SCHEMBL1724377 0.87 JAK2 (0.45) JAK3JAK1JAK2PLK4ROCK2
SCHEMBL1724349 0.85 JAK3 (0.46) JAK3JAK1JAK2PLK4ROCK2
SCHEMBL14494149 0.85 JAK3 (0.46) JAK3JAK1JAK2PLK4ROCK2
SCHEMBL1724354 0.85 JAK3 (0.46) JAK3JAK1JAK2PLK4ROCK2
SCHEMBL10125414 0.82 LATS1 (0.42) JAK3JAK1JAK2PLK4ROCK2
SCHEMBL12346312 0.82 LATS1 (0.42) JAK3JAK1JAK2PLK4ROCK2

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-2354140-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
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 JAK3 3/4885JAK1 2/4885JAK2 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.