SCHEMBL4827398

SCHEMBL4827398

c1ccc(-c2cnoc2-c2c[nH]c3ncccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.53
MAP4K4 O95819 5/20 0.53
CLK4 Q9HAZ1 5/20 0.53
HIPK2 Q9H2X6 4/20 0.53
PRKACA P17612 4/20 0.53
ROCK2 O75116 3/20 0.53
CDK2 P24941 3/20 0.53
PIM1 P11309 3/20 0.53
GSK3B P49841 3/20 0.53
IRAK4 Q9NWZ3 2/20 0.53
CAMKK2 Q96RR4 2/20 0.52
CDK8 P49336 3/20 0.51
AXL P30530 1/20 0.51
TNIK Q9UKE5 1/20 0.51
DBF4 Q9UBU7 1/20 0.51
DYRK1A Q13627 7/20 0.49
CLK2 P49760 4/20 0.49
CDK5 Q00535 4/20 0.49
JAK2 O60674 3/20 0.49
PRKD3 O94806 3/20 0.49

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
SCHEMBL4831547 0.90 DYRK1A (0.56) CDC7MAP4K4CLK4HIPK2PRKACA
SCHEMBL4829217 0.85 PRKCI (0.50) CDC7MAP4K4CLK4HIPK2PRKACA
SCHEMBL3740263 0.83 CAMKK2 (0.69) CDC7MAP4K4CLK4HIPK2PRKACA
SCHEMBL858985 0.81 CAMKK2 (0.70) CDC7MAP4K4CLK4HIPK2PRKACA
SCHEMBL20846288 0.79 CAMKK2 (0.60) CDC7MAP4K4CLK4HIPK2PRKACA
SCHEMBL4829596 0.78 CDC7 (0.48) CDC7MAP4K4CLK4HIPK2PRKACA
SCHEMBL4829343 0.78 RPS6KA5 (0.49) CDC7MAP4K4CLK4HIPK2PRKACA
SCHEMBL4829590 0.78 CDC7 (0.51) CDC7MAP4K4CLK4HIPK2PRKACA
SCHEMBL4827311 0.78 CDC7 (0.48) CDC7MAP4K4CLK4HIPK2PRKACA
SCHEMBL4829200 0.77 CDC7 (0.50) CDC7MAP4K4CLK4HIPK2PRKACA

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 6 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

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 CDC7 276/4885MAP4K4 45/4885CLK4 557/4885

“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.