SCHEMBL4290131

SCHEMBL4290131

COc1cccc(-c2c[nH]c(=O)c3c2cc(CCCN)c2ccc(-c4cn[nH]c4)cc23)c1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.79
AURKA O14965 2/20 0.43
GRK2 P25098 2/20 0.43
ROCK1 Q13464 2/20 0.43
RPS6KA1 Q15418 2/20 0.43
ROCK2 O75116 1/20 0.43
PRKCB P05771 1/20 0.43
AKT1 P31749 1/20 0.43
GRK5 P34947 1/20 0.43
GRK6 P43250 1/20 0.43
CAMK2B Q13554 1/20 0.43
GRK7 Q8WTQ7 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
SCHEMBL4292595 0.91 CHEK1 (0.81) CHEK1ROCK1ROCK2
SCHEMBL4289057 0.89 CHEK1 (1.00) CHEK1
SCHEMBL4291071 0.88 CHEK1 (0.89) CHEK1
SCHEMBL4297110 0.88 CHEK1 (1.00) CHEK1ROCK2
SCHEMBL4292407 0.88 CHEK1 (1.00) CHEK1
SCHEMBL4297653 0.88 CHEK1 (1.00) CHEK1ROCK2
SCHEMBL4291932 0.86 CHEK1 (0.80) CHEK1ROCK2
SCHEMBL4287317 0.85 CHEK1 (0.79) CHEK1ROCK2
SCHEMBL4294194 0.85 CHEK1 (0.86) CHEK1
SCHEMBL4292397 0.85 CHEK1 (1.00) CHEK1

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-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US claimed
EP-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP claimed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO claimed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
EP-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 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-20090258852-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, CDKN1A CHEK1 1/4885AURKA 7/4885GRK2 1005/4885

“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.