SCHEMBL1718153

SCHEMBL1718153

Clc1ccccc1CNc1cccc(-c2ccnc3[nH]ccc23)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 7/20 0.60
CCNT1 O60563 4/20 0.58
PRKCI P41743 2/20 0.51
NUDT1 P36639 2/20 0.47
JAK2 O60674 2/20 0.46
PRKACA P17612 2/20 0.46
JAK3 P52333 2/20 0.46
PRKCQ Q04759 2/20 0.46
ROCK1 Q13464 2/20 0.46
FLT3 P36888 2/20 0.46
ROCK2 O75116 1/20 0.46
PRKCA P17252 1/20 0.46
GSK3B P49841 1/20 0.46
PRKCD Q05655 1/20 0.46
MAP4K4 O95819 2/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
DAPK3 O43293 1/20 0.44
PRKD3 O94806 1/20 0.44
PAK4 O96013 1/20 0.44

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
SCHEMBL1719645 0.89 CDK9 (0.49) CDK9CCNT1PRKCINUDT1JAK2
SCHEMBL12347990 0.80 PRKCI (0.56) CDK9CCNT1PRKCINUDT1JAK2
SCHEMBL14493857 0.77 PRKCI (0.52) CDK9CCNT1PRKCINUDT1JAK2
SCHEMBL16042648 0.76 CDK9 (1.00) CDK9CCNT1
SCHEMBL1717432 0.75 CCNT1 (0.63) CDK9CCNT1CLK2DYRK1ACLK4
SCHEMBL12346218 0.75 CYP2D6 (0.50) CDK9CCNT1PRKCINUDT1JAK2
SCHEMBL1724576 0.74 ROCK1 (0.56) CDK9CCNT1PRKCIJAK2PRKACA
SCHEMBL1718288 0.74 JAK2 (0.49) CDK9CCNT1PRKCINUDT1JAK2
SCHEMBL16041361 0.74 CDK9 (1.00) CDK9CCNT1
SCHEMBL1719542 0.73 ROCK1 (0.54) CDK9CCNT1PRKCINUDT1JAK2

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 9 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
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 CDK9 241/4885CCNT1 2139/4885PRKCI 23/4885

“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.