SCHEMBL8514868

SCHEMBL8514868

CC1(C)CCC(C)(C)c2cc(-c3ccnc(N4CCC(N)CC4)n3)ccc21

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 3/20 0.64
RET P07949 1/20 0.47
DYRK1A Q13627 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CB P42338 1/20 0.42
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
PAK4 O96013 1/20 0.40
PAK1 Q13153 1/20 0.40
KARS1 Q15046 2/20 0.39
ROCK2 O75116 1/20 0.39
HRH3 Q9Y5N1 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
Hydrochloric Acid SCHEMBL8511494 0.99 DKK1 (0.63) DKK1RETDYRK1APIK3CAPIK3CD
SCHEMBL2012214 0.94 DKK1 (0.57) DKK1RETDYRK1APIK3CAPIK3CD
SCHEMBL2012211 0.94 DKK1 (0.57) DKK1RETDYRK1APIK3CAPIK3CD
SCHEMBL8514846 0.84 DKK1 (0.49) DKK1RETDYRK1AKARS1
SCHEMBL8512407 0.83 ADRB1 (0.44) DKK1PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL8510961 0.83 DKK1 (0.43) DKK1RARARARBKARS1HRH3
SCHEMBL8510951 0.83 DKK1 (0.45) DKK1RETPIK3CAPIK3CDPIK3R1
SCHEMBL12959441 0.83 DKK1 (0.46) DKK1RARARARB
Hydrochloric Acid SCHEMBL8512387 0.82 DKK1 (0.44) DKK1RETPIK3CAPIK3CDPIK3R1
Hydrochloric Acid SCHEMBL8512430 0.82 ADRB1 (0.43) DKK1PIK3CAPIK3CDPIK3R1PIK3CB

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
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO claimed
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
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-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 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 DKK1 2388/4885RET 219/4885DYRK1A 314/4885

“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.