SCHEMBL14328753

SCHEMBL14328753

CNC1(C(N)=O)CCN(c2ccccc2NC(=O)c2csc(-c3ccsc3C#N)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 0.49
▸ PIM1 P11309 1/20 0.45
▸ PIM3 Q86V86 1/20 0.45

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
SCHEMBL14207046 0.86 CHEK1 (0.54) CHEK1PIM1PIM3
SCHEMBL14207433 0.84 CHEK1 (0.48) CHEK1PIM1PIM3
SCHEMBL14206595 0.84 CHEK1 (0.68) CHEK1PIM1PIM3
SCHEMBL14328654 0.83 CHEK1 (0.69) CHEK1
SCHEMBL14207424 0.83 CHEK1 (0.54) CHEK1
SCHEMBL14206587 0.83 CHEK1 (0.53) CHEK1PIM1PIM3
SCHEMBL14206484 0.83 CHEK1 (0.68) CHEK1PIM1PIM3
SCHEMBL14328725 0.83 CHEK1 (0.59) CHEK1
SCHEMBL14206592 0.83 CHEK1 (0.56) CHEK1
SCHEMBL14328663 0.82 CHEK1 (0.52) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078003-B1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2017-03-08 — — EP disclosed
US-9206142-B2 Anilinopiperazine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2015-12-08 — — US disclosed
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
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 1230/4885PIM1 2719/4885PIM3 2561/4885

“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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