SCHEMBL3777833

SCHEMBL3777833

O=c1[nH]c(=O)c2c(Cl)cccc2[nH]1.[KH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.54
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
PARP1 P09874 3/20 0.47
KDM4E B2RXH2 1/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
GRIA1 P42261 3/20 0.46
CACNG8 Q8WXS5 3/20 0.46
PBRM1 Q86U86 1/20 0.45
DYRK1A Q13627 1/20 0.45
DAO P14920 1/20 0.42
GAA P10253 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
SCHEMBL3110872 0.98 CHEK1 (0.55) CHEK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29734052 0.98 CHEK1 (0.55) CHEK1GRIN2DGRIN3BGRIN1GRIN2A
Potassium SCHEMBL3642930 0.96 CHEK1 (0.54) CHEK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6009055 0.76 ERCC5 (0.53) CHEK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31619545 0.76 ERCC5 (0.53) CHEK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5879190 0.76 CHEK1 (0.58) CHEK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3125353 0.74 PARP1 (0.49) CHEK1PARP1KDM4ECA12CA9
SCHEMBL8144559 0.74 IMPDH2 (0.50) CHEK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6645136 0.74 KDM4E (0.48) CHEK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3106487 0.74 FEN1 (0.50) CHEK1GRIN2DGRIN3BGRIN1GRIN2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US 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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS TPX2, DCXR, RRM2 CHEK1 3090/4885GRIN2D 4202/4885GRIN3B 3968/4885

“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.