SCHEMBL2015674

SCHEMBL2015674

CC(C)(C)OC(=O)N1CCN(c2ncnc(-c3ccc4c(c3)CCCC4(C)C)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.45
ACHE P22303 2/20 0.42
KIT P10721 1/20 0.41
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
PTPN11 Q06124 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
GPR119 Q8TDV5 3/20 0.40
MAP4K4 O95819 1/20 0.40
MAPT P10636 1/20 0.39
MTOR P42345 2/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
CHRNA7 P36544 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
PIK3R1 P27986 1/20 0.38

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
SCHEMBL2033275 0.94 PIK3CA (0.46) PIK3CAACHEKITCKS1BSKP1
SCHEMBL12804909 0.88 PIK3CA (0.48) PIK3CAACHEKITCKS1BSKP1
SCHEMBL15241221 0.86 TBK1 (0.48) PIK3CAACHECKS1BSKP1SKP2
SCHEMBL2015302 0.80 CKS1B (0.43) CKS1BSKP1SKP2CRBNGPR119
SCHEMBL2038422 0.79 HRH4 (0.42) PIK3CAMAPTHRH4
SCHEMBL2015814 0.74 ACHE (0.52) PIK3CAACHECKS1BSKP1SKP2
SCHEMBL2013124 0.74 CKS1B (0.45) CKS1BSKP1SKP2CRBNGPR119
SCHEMBL2016854 0.74 CKS1B (0.45) CKS1BSKP1SKP2CRBNGPR119
SCHEMBL2015195 0.73 CKS1B (0.46) PIK3CAACHECKS1BSKP1SKP2
SCHEMBL2384006 0.73 GPR119 (0.48) PIK3CAACHEKITCKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
EP-2513057-B1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-09-04 EP disclosed
EP-2513057-A1 SPHINGOSINE KINASE INHIBITORS Merck Patent GmbH (DE) 2012-10-24 EP disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
WO-2011072791-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-06-23 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-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, SPHK2, S1PR3 PIK3CA 488/4885ACHE 1769/4885KIT 2398/4885

“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.