SCHEMBL14207183

SCHEMBL14207183

NC(=O)C1(O)CCN(c2ncccc2NC(=O)c2csc(-c3cccs3)n2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 10/20 0.53
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.43
▸ KIF18A Q8NI77 1/20 0.42
▸ HDAC3 O15379 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ IRAK4 Q9NWZ3 3/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL14328616 0.89 CHEK1 (0.54) CHEK1RAB9ASMN1; SMN2KDM4EKIF18A
SCHEMBL14328617 0.87 CHEK1 (0.68) CHEK1RAB9ASMN1; SMN2
SCHEMBL14206590 0.86 CHEK1 (0.51) CHEK1RAB9ASMN1; SMN2KDM4EKIF18A
SCHEMBL14206761 0.82 CHEK1 (0.56) CHEK1RAB9ASMN1; SMN2KDM4EHDAC3
SCHEMBL14207013 0.82 CHEK1 (0.74) CHEK1RAB9ASMN1; SMN2HDAC3HDAC2
SCHEMBL14206601 0.81 CHEK1 (0.57) CHEK1RAB9ASMN1; SMN2KDM4EHDAC3
SCHEMBL11886275 0.80 CHEK1 (0.42) CHEK1RAB9ASMN1; SMN2KIF18ANPC1
SCHEMBL14207444 0.79 CHEK1 (0.52) CHEK1RAB9ASMN1; SMN2KDM4EIRAK4
SCHEMBL11886332 0.79 HPGD (0.40) CHEK1SMN1; SMN2KDM4EKIF18AIRAK4
SCHEMBL14206458 0.77 CHEK1 (0.72) CHEK1RAB9ASMN1; SMN2

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 1230/4885RAB9A 4564/4885SMN1; SMN2 3649/4885

“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.

Send feedback