SCHEMBL12068751

SCHEMBL12068751

CC(C)(C)OC(=O)NCC1CCN(c2c(N)cccc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.51
SKP1 P63208 1/20 0.51
SKP2 Q13309 1/20 0.51
DRD2 P14416 2/20 0.49
ACACB O00763 11/20 0.49
ACACA Q13085 10/20 0.49
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
NAMPT P43490 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
SUV39H2 Q9H5I1 1/20 0.40

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
SCHEMBL359261 0.92 CKS1B (0.55) CKS1BSKP1SKP2DRD2ACACB
SCHEMBL12070251 0.86 FFAR4 (0.41) CKS1BSKP1SKP2DRD2ACACB
SCHEMBL12068465 0.84 CKS1B (0.48) CKS1BSKP1SKP2DRD2ACACB
SCHEMBL30079575 0.84 CKS1B (0.48) CKS1BSKP1SKP2DRD2NAMPT
SCHEMBL3199650 0.83 CKS1B (0.58) CKS1BSKP1SKP2DRD2ACACB
SCHEMBL9980494 0.83 ADORA2A (0.44) KDM4EADORA2AADORA1
SCHEMBL14804536 0.80 FFAR4 (0.39)
SCHEMBL29226371 0.80 LGMN (0.40) KDM4E
SCHEMBL13419702 0.80 ACACB (0.49) CKS1BSKP1SKP2DRD2ACACB
SCHEMBL27489406 0.80 PIM1 (0.47) CKS1BSKP1SKP2DRD2

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
US-8623857-B2 N-phenyl imidazole carboxamide inhibitors of 3-phosphoinositide-dependent protein kinase-1 MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
US-8623857-B2 N-phenyl imidazole carboxamide inhibitors of 3-phosphoinositide-dependent protein kinase-1 MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
US-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME CORP. 2013-03-28 US disclosed
US-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME CORP. 2013-03-28 US disclosed
WO-2011149874-A2 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 SCHERING CORPORATION (US) 2011-12-01 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-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 PDPK1, PDK1, PDK3 CKS1B 155/4885SKP1 639/4885SKP2 451/4885

“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.