SCHEMBL5058943

SCHEMBL5058943

Cn1nc(-c2cc3cc(CNC4CCC(N)CC4)ccc3[nH]2)c2ccc(C(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 5/20 0.38
▸ CDK7 P50613 3/20 0.38
▸ KDM4C Q9H3R0 2/20 0.36
▸ MMP13 P45452 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
SCHEMBL5051829 0.85 CHEK1 (0.50) CHEK1CDK7
SCHEMBL5054165 0.84 SYK (0.37) KDM4C
SCHEMBL5055625 0.82 CHEK1 (0.39) CHEK1CDK7KDM4CMMP13
SCHEMBL5051812 0.82 PRMT5 (0.40) CHEK1CDK7MMP13
SCHEMBL5051856 0.81 CHEK1 (0.41) CHEK1CDK7KDM4CMMP13
SCHEMBL5055588 0.81 CHEK1 (0.38) CHEK1CDK7KDM4CMMP13
SCHEMBL5054104 0.76 CHEK1 (0.62) CHEK1CDK7
SCHEMBL5061556 0.76 CHEK1 (0.60) CHEK1CDK7
SCHEMBL27688758 0.75 CHEK1 (0.46) CHEK1CDK7
SCHEMBL5053947 0.72 SYK (0.36) KDM4C

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-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 43/4885KDM4C 974/4885

“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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