SCHEMBL4294755

SCHEMBL4294755

NC(=O)c1cccc(-c2c[nH]c(=O)c3c2ccc2ccc(Cl)cc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.44
PARP1 P09874 1/20 0.43
DYRK1A Q13627 2/20 0.42
FYN P06241 2/20 0.42
STK3 Q13188 2/20 0.42
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
MAPK13 O15264 1/20 0.42
PDPK1 O15530 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
PRKD3 O94806 1/20 0.42
PAK4 O96013 1/20 0.42
CHEK2 O96017 1/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
NTRK1 P04629 1/20 0.42
INSR P06213 1/20 0.42

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
SCHEMBL4287646 0.90 SERPINE1 (0.45) CHEK1PARP1AXLSERPINE1
SCHEMBL4287635 0.83 PARP1 (0.55) CHEK1PARP1DYRK1ASTK3ROCK2
SCHEMBL4287632 0.83 CHEK1 (0.45) CHEK1PARP1ROCK2EGFRFGFR1
SCHEMBL4298992 0.81 BTK (0.49) PARP1PIM1FLT3PIM3BRD4
SCHEMBL4295944 0.81 SMN1; SMN2 (0.45) CHEK1NTRK1MAPK1KDR
SCHEMBL4291937 0.80 MAP2K4 (0.47) CHEK1PARP1DYRK1AAURKAROCK2
SCHEMBL4296952 0.80 CHEK1 (0.44) CHEK1NTRK1BRD4LRRK2
SCHEMBL4293948 0.79 MAPK8 (0.47) CHEK1PARP1FYNPDPK1PRKD3
SCHEMBL4294704 0.79 TDO2 (0.46) CHEK1DYRK1AAURKANTRK1MAPK1
SCHEMBL13662591 0.78 RAB9A (0.45) PARP1MAPK1

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 5 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
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
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 1/4885PARP1 193/4885DYRK1A 762/4885

“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.