SCHEMBL4287646

SCHEMBL4287646

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.45
CHEK1 O14757 2/20 0.45
AXL P30530 2/20 0.45
EIF4EBP1 Q13541 3/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
MAT2A P31153 1/20 0.42
NHERF1 O14745 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGER1 P34995 2/20 0.41
CYP2C9 P11712 1/20 0.41
PARP1 P09874 1/20 0.40
MAP4K4 O95819 1/20 0.39

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
SCHEMBL4294755 0.90 CHEK1 (0.44) SERPINE1CHEK1AXLPARP1
SCHEMBL4291937 0.88 MAP2K4 (0.47) CHEK1AXLRXRARXRBNHERF1
SCHEMBL4287635 0.86 PARP1 (0.55) CHEK1PARP1MAP4K4
SCHEMBL4287632 0.84 CHEK1 (0.45) CHEK1NHERF1PARP1
SCHEMBL4298992 0.82 BTK (0.49) NPC1RAB9APARP1
SCHEMBL4295944 0.81 SMN1; SMN2 (0.45) CHEK1
SCHEMBL4296952 0.81 CHEK1 (0.44) CHEK1
SCHEMBL4293948 0.80 MAPK8 (0.47) CHEK1PARP1MAP4K4
SCHEMBL4294704 0.80 TDO2 (0.46) CHEK1NPC1RAB9ACYP2C9
SCHEMBL4287293 0.80 ALDH1A1 (0.44) CYP2C9PARP1

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 SERPINE1 2910/4885CHEK1 1/4885AXL 1174/4885

“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.