SCHEMBL4287632

SCHEMBL4287632

O=c1[nH]cc(-c2cccc(CO)c2)c2ccc3ccc(Cl)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.45
NHERF1 O14745 1/20 0.41
PARP1 P09874 1/20 0.40
LRRK2 Q5S007 2/20 0.39
WEE1 P30291 1/20 0.39
TYMS P04818 1/20 0.39
DAO P14920 2/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
ROCK2 O75116 1/20 0.37
NAMPT P43490 1/20 0.37
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
FGFR1 P11362 1/20 0.37
MAPK8 P45983 1/20 0.36

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
SCHEMBL4298816 0.89 CHEK1 (0.48) CHEK1NHERF1PARP1TYMSROCK2
SCHEMBL4287635 0.86 PARP1 (0.55) CHEK1PARP1TYMSCLK2ROCK2
SCHEMBL4287646 0.84 SERPINE1 (0.45) CHEK1NHERF1PARP1
SCHEMBL4294755 0.83 CHEK1 (0.44) CHEK1PARP1LRRK2CLK1CLK2
SCHEMBL4296952 0.81 CHEK1 (0.44) CHEK1LRRK2
SCHEMBL4294704 0.80 TDO2 (0.46) CHEK1TYMSCLK1
SCHEMBL4295944 0.79 SMN1; SMN2 (0.45) CHEK1
SCHEMBL13662591 0.79 RAB9A (0.45) PARP1
SCHEMBL4291937 0.79 MAP2K4 (0.47) CHEK1NHERF1PARP1ROCK2NAMPT
SCHEMBL4287293 0.78 ALDH1A1 (0.44) PARP1

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 1/4885NHERF1 3429/4885PARP1 193/4885

“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.