SCHEMBL4292052

SCHEMBL4292052

O=C(O)c1cc2cc[nH]c(=O)c2c2ccc(Cl)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.65
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
ALDH1A1 P00352 4/20 0.42
CYP2C9 P11712 2/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
HPGD P15428 1/20 0.42
CASP7 P55210 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
GPR35 Q9HC97 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DYRK1A Q13627 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 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
SCHEMBL4296686 0.94 CHEK1 (0.73) CHEK1F7F3ALDH1A1CYP2C9
SCHEMBL4295262 0.87 CHEK1 (0.54) CHEK1F7F3ALDH1A1CYP2C9
SCHEMBL5025815 0.82 KDM4E (0.51) CHEK1ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL4287238 0.80 CHEK1 (0.48) CHEK1ALDH1A1HPGDHIF1AHSD17B10
SCHEMBL4297526 0.80 CHEK1 (0.57) CHEK1CYP1A2TSHR
SCHEMBL4291070 0.79 CHEK1 (1.00) CHEK1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4302533 0.78 CHEK1 (0.73) CHEK1GPR35
SCHEMBL4298772 0.77 CHEK1 (0.46) CHEK1KDM4EKMO
SCHEMBL4296227 0.77 CHEK1 (0.54) CHEK1ALDH1A1HPGDHSD17B10POLB
SCHEMBL4291923 0.76 CHEK1 (0.50) CHEK1POLB

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 1/4885F7 4736/4885F3 3029/4885

“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.