SCHEMBL14328808

SCHEMBL14328808

CC(=O)C1CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.76

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
SCHEMBL14206483 0.91 CHEK1 (0.76) CHEK1
SCHEMBL14328678 0.90 CHEK1 (0.80) CHEK1
SCHEMBL14328809 0.88 CHEK1 (0.73) CHEK1
SCHEMBL15071640 0.87 CHEK1 (0.84) CHEK1
SCHEMBL18600011 0.87 CHEK1 (0.75) CHEK1
SCHEMBL14207006 0.86 CHEK1 (1.00) CHEK1
SCHEMBL14206464 0.86 CHEK1 (0.73) CHEK1
SCHEMBL14328804 0.84 CHEK1 (0.72) CHEK1
SCHEMBL18600074 0.83 CHEK1 (0.75) CHEK1
SCHEMBL14328817 0.82 CHEK1 (0.76) CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206142-B2 Anilinopiperazine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2015-12-08 — — US disclosed
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2012-12-27 — — 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-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MAPK15, CDK15, MAPKAPK5 CHEK1 1230/4885

“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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