SCHEMBL1718191

SCHEMBL1718191

c1cc(NCC2CCCO2)nc(-c2ccnc3[nH]ccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 13/20 0.53
CDK9 P50750 9/20 0.47
PRKCI P41743 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
UTS2R Q9UKP6 1/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
JAK2 O60674 1/20 0.43
PRKCA P17252 1/20 0.43
PRKACA P17612 1/20 0.43
FLT3 P36888 1/20 0.43
GSK3B P49841 1/20 0.43
JAK3 P52333 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCD Q05655 1/20 0.43

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
SCHEMBL1718347 0.79 PRKCI (0.45) CCNT1CDK9PRKCIHTTKMT2A
SCHEMBL12347990 0.77 PRKCI (0.56) CCNT1CDK9PRKCIAURKBROCK2
SCHEMBL1718265 0.76 PRKCI (0.52) CDK9PRKCIAURKBROCK2ROCK1
SCHEMBL14493857 0.74 PRKCI (0.52) CCNT1CDK9PRKCIAURKBROCK2
SCHEMBL4974272 0.73 HCAR3 (0.49) CCNT1HTTKMT2ASMN1; SMN2UTS2R
SCHEMBL1718724 0.73 CCNT1 (0.49) CCNT1CDK9ROCK2ROCK1JAK2
SCHEMBL1718288 0.71 JAK2 (0.49) CCNT1CDK9PRKCIUTS2RAURKB
SCHEMBL12346193 0.71 AKT1 (0.52) KMT2ASMN1; SMN2AURKAAURKBROCK2
SCHEMBL1718153 0.70 CDK9 (0.60) CCNT1CDK9PRKCIAURKBROCK2
SCHEMBL1719542 0.70 ROCK1 (0.54) CCNT1CDK9PRKCIAURKBROCK2

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 CCNT1 2139/4885CDK9 241/4885PRKCI 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.