SCHEMBL1718265

SCHEMBL1718265

c1cc(NC2CCCC2)nc(-c2ccnc3[nH]ccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.52
RET P07949 2/20 0.52
CDC7 O00311 7/20 0.51
GSK3B P49841 4/20 0.51
PRKACA P17612 4/20 0.51
JAK2 O60674 4/20 0.51
JAK3 P52333 3/20 0.51
PIM3 Q86V86 3/20 0.51
MKNK2 Q9HBH9 3/20 0.51
IRAK4 Q9NWZ3 3/20 0.51
FLT3 P36888 2/20 0.51
CDK1 P06493 2/20 0.51
TYK2 P29597 2/20 0.51
HIPK2 Q9H2X6 2/20 0.51
MAP4K4 O95819 2/20 0.51
CSF1R P07333 2/20 0.51
FLT1 P17948 2/20 0.51
KDR P35968 2/20 0.51
ALK Q9UM73 2/20 0.51
PIM1 P11309 2/20 0.51

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
SCHEMBL1724204 0.78 CCNT1 (0.47) RETJAK2IRAK4FLT3HPGDS
SCHEMBL12347990 0.76 PRKCI (0.56) PRKCIRETGSK3BPRKACAJAK2
SCHEMBL1718191 0.76 CCNT1 (0.53) PRKCIGSK3BPRKACAJAK2JAK3
SCHEMBL1718928 0.74 PRKCI (0.53) PRKCIRETGSK3BPRKACAJAK2
SCHEMBL1718593 0.73 PRKCI (0.63) PRKCIRETGSK3BPRKACAJAK2
SCHEMBL12127819 0.73 PRKCI (0.63) PRKCIRETGSK3BPRKACAJAK2
SCHEMBL1719341 0.73 PRKCI (0.63) PRKCIRETGSK3BPRKACAJAK2
SCHEMBL14493857 0.73 PRKCI (0.52) PRKCIRETGSK3BPRKACAJAK2
SCHEMBL27893877 0.73 PRKCI (0.52) PRKCIRETGSK3BPRKACAJAK2
SCHEMBL1718724 0.73 CCNT1 (0.49) GSK3BPRKACAJAK2JAK3FLT3

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-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
EP-2354139-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 23/4885RET 363/4885CDC7 612/4885

“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.