SCHEMBL1719645

SCHEMBL1719645

Clc1ccccc1CCNc1cccc(-c2ccnc3[nH]ccc23)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 9/20 0.49
PRKCI P41743 2/20 0.49
NUDT1 P36639 3/20 0.48
CCNT1 O60563 6/20 0.47
JAK2 O60674 2/20 0.45
PRKACA P17612 2/20 0.45
JAK3 P52333 2/20 0.45
PRKCQ Q04759 2/20 0.45
ROCK1 Q13464 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
DAPK3 O43293 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
IGF1R P08069 1/20 0.45
FGFR1 P11362 1/20 0.45

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
SCHEMBL1718153 0.89 CDK9 (0.60) CDK9PRKCINUDT1CCNT1JAK2
SCHEMBL1719167 0.83 CCNT1 (0.42) CDK9CCNT1JAK2CCNKCDK12
SCHEMBL12347990 0.78 PRKCI (0.56) CDK9PRKCINUDT1CCNT1JAK2
SCHEMBL14493857 0.75 PRKCI (0.52) CDK9PRKCINUDT1CCNT1JAK2
SCHEMBL12346218 0.73 CYP2D6 (0.50) CDK9PRKCINUDT1CCNT1JAK2
SCHEMBL1718288 0.73 JAK2 (0.49) CDK9PRKCINUDT1CCNT1JAK2
SCHEMBL1719542 0.72 ROCK1 (0.54) CDK9PRKCINUDT1CCNT1JAK2
SCHEMBL1719648 0.71 CCNK (0.50) CDK9PRKCINUDT1CCNT1JAK2
SCHEMBL27893877 0.71 PRKCI (0.52) CDK9PRKCINUDT1JAK2PRKACA
SCHEMBL1718724 0.70 CCNT1 (0.49) CDK9CCNT1JAK2PRKACAJAK3

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 12 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
CN-101228161-B Pyrrolopyridines useful as protein kinase inhibitors VERTEX PHARMA 2012-10-10 CN 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-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 CDK9 241/4885PRKCI 23/4885NUDT1 2466/4885

“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.