SCHEMBL4829343

SCHEMBL4829343

Clc1cccc(-c2cnoc2-c2c[nH]c3ncccc23)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.49
CDC7 O00311 8/20 0.47
MAP4K4 O95819 7/20 0.47
PIM1 P11309 7/20 0.47
PRKACA P17612 7/20 0.47
GSK3B P49841 7/20 0.47
HIPK2 Q9H2X6 6/20 0.47
CDK9 P50750 6/20 0.47
CDK5 Q00535 6/20 0.47
CLK4 Q9HAZ1 5/20 0.47
DAPK3 O43293 5/20 0.47
CLK2 P49760 5/20 0.47
CDK7 P50613 5/20 0.47
PRKX P51817 5/20 0.47
DYRK1A Q13627 5/20 0.47
FLT3 P36888 4/20 0.47
PKN2 Q16513 4/20 0.47
MINK1 Q8N4C8 4/20 0.47
STK17A Q9UEE5 4/20 0.47
CDK8 P49336 3/20 0.47

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
SCHEMBL4831120 0.88 RPS6KA5 (0.50) RPS6KA5CDC7MAP4K4PIM1PRKACA
SCHEMBL4832756 0.86 NTRK1 (0.53) CDK9DYRK1ACDK8CDK2PDPK1
SCHEMBL8290894 0.86 RPS6KA5 (0.45) RPS6KA5CDC7MAP4K4PIM1PRKACA
SCHEMBL8290891 0.86 IKBKE (0.35) RPS6KA5CDC7MAP4K4PIM1PRKACA
SCHEMBL14002240 0.85 PTPN11 (0.41) RPS6KA5CDC7MAP4K4PIM1PRKACA
SCHEMBL4831176 0.85 DYRK1A (0.39) CDC7DYRK1ACDK8DYRK1BJAK2
SCHEMBL4829524 0.83 NTRK1 (0.42) MAP4K4GSK3BCDK5CLK4CLK2
SCHEMBL4829590 0.81 CDC7 (0.51) RPS6KA5CDC7MAP4K4PIM1PRKACA
SCHEMBL4827398 0.78 CDC7 (0.53) CDC7MAP4K4PIM1PRKACAGSK3B
SCHEMBL8290070 0.78 DYRK1B (0.44) RPS6KA5CDC7MAP4K4PIM1PRKACA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
US-20050137201-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 US disclosed
WO-2005028475-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-31 WO 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-20050137201-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 RPS6KA5 130/4885CDC7 276/4885MAP4K4 45/4885

“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.