SCHEMBL2014662

SCHEMBL2014662

CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCCC(N)C4)n3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.52
PIM1 P11309 17/20 0.48
PIM3 Q86V86 6/20 0.47
PIM2 Q9P1W9 6/20 0.47
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
DYRK1A Q13627 1/20 0.46

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
SCHEMBL8515149 0.87 RARA (0.49) IRAK4PIM1PIM3PIM2RARA
Hydrochloric Acid SCHEMBL2015173 0.86 RARA (0.48) IRAK4PIM1PIM3PIM2RARA
Hydrochloric Acid SCHEMBL8515557 0.86 RARA (0.48) IRAK4PIM1PIM3PIM2RARA
SCHEMBL12633241 0.85 RARA (0.53) RARARARB
SCHEMBL12959611 0.85 RARA (0.53) RARARARB
SCHEMBL12632618 0.84 RARA (0.43) IRAK4PIM1PIM3PIM2RARA
SCHEMBL8515452 0.82 RARA (0.44) IRAK4PIM1PIM3PIM2RARA
SCHEMBL12632945 0.81 RARB (0.56) PIM1PIM3PIM2RARARARB
SCHEMBL2223010 0.81 PTPN1 (0.46) CLK2CLK3DYRK1A
SCHEMBL2017754 0.80 RARB (0.41) IRAK4PIM1PIM3PIM2RARA

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 11 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-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
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 IRAK4 854/4885PIM1 653/4885PIM3 427/4885

“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.