SCHEMBL14206464

SCHEMBL14206464

NC1CCCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 16/20 0.73
▸ PIM1 P11309 4/20 0.59
▸ PIM3 Q86V86 4/20 0.59
▸ PIM2 Q9P1W9 4/20 0.59

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
SCHEMBL14328809 0.90 CHEK1 (0.73) CHEK1PIM1PIM3PIM2
SCHEMBL15071640 0.89 CHEK1 (0.84) CHEK1PIM1PIM3
SCHEMBL14328678 0.89 CHEK1 (0.80) CHEK1
SCHEMBL14206483 0.88 CHEK1 (0.76) CHEK1
SCHEMBL18600011 0.87 CHEK1 (0.75) CHEK1
SCHEMBL14328808 0.86 CHEK1 (0.76) CHEK1
SCHEMBL14207006 0.85 CHEK1 (1.00) CHEK1
SCHEMBL14328772 0.85 CHEK1 (0.66) CHEK1PIM1PIM3PIM2
SCHEMBL2732229 0.84 PIM2 (0.61) CHEK1PIM1PIM3PIM2
SCHEMBL2732222 0.84 PIM2 (0.61) CHEK1PIM1PIM3PIM2

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 6 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
WO-2008054702-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-08 — — WO 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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