SCHEMBL5051851

SCHEMBL5051851

CNCCN(C)C(=O)c1ccc2[nH]nc(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 17/20 0.61
▸ CDK7 P50613 13/20 0.55
▸ CLK2 P49760 1/20 0.46
▸ CLK3 P49761 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ ITK Q08881 2/20 0.46

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
SCHEMBL5058923 0.90 CHEK1 (0.74) CHEK1CDK7CLK2CLK3DYRK1A
SCHEMBL5061569 0.85 CHEK1 (0.74) CHEK1CDK7CLK2CLK3DYRK1A
SCHEMBL5051865 0.84 CHEK1 (0.84) CHEK1CDK7
SCHEMBL5051852 0.83 CHEK1 (0.65) CHEK1CDK7CLK2CLK3DYRK1A
SCHEMBL5054039 0.81 CHEK1 (0.59) CHEK1CDK7CLK2CLK3DYRK1A
SCHEMBL5053998 0.81 CHEK1 (0.61) CHEK1CDK7CLK2CLK3DYRK1A
SCHEMBL5051909 0.80 CHEK1 (0.58) CHEK1CDK7
SCHEMBL5054055 0.79 CHEK1 (0.84) CHEK1CDK7
SCHEMBL5054025 0.79 FLT3 (0.58) CHEK1CDK7
SCHEMBL5051817 0.77 CHEK1 (0.47) CHEK1CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004259-A1 Inhibitors of Checkpoint Kinases MERCK & CO., INC. 2008-01-03 — — US disclosed
US-20080004259-A1 Inhibitors of Checkpoint Kinases MERCK & CO., INC. 2008-01-03 — — US disclosed
US-20080004259-A1 Inhibitors of Checkpoint Kinases MERCK & CO., INC. 2008-01-03 — — 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-20080004259-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, BUB1B CHEK1 1/4885CDK7 43/4885CLK2 127/4885

“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.

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