SCHEMBL1089057

SCHEMBL1089057

CC(C)(C)OC(=O)n1cncc1C=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.37
MARK3 P27448 1/20 0.37
MAP4K2 Q12851 1/20 0.37
CAMK2B Q13554 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
BCHE P06276 1/20 0.36
FAAH O00519 1/20 0.35
GPR119 Q8TDV5 6/20 0.33
BUB1 O43683 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CYP11B2 P19099 1/20 0.32
POLB P06746 1/20 0.32
NR1H2 P55055 1/20 0.32
ELANE P08246 1/20 0.32
IDO1 P14902 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9767895 0.82 MAPK1 (0.37) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL7654635 0.78 PIM1 (0.39) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL9516130 0.77 PIM1 (0.38) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL1199490 0.75 ALDH1A1 (0.39) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL4149607 0.74 PIM1 (0.37) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL13141402 0.73 F13A1 (0.37) BCHEGPR119POLB
SCHEMBL20864185 0.73 FAAH (0.43) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL6555359 0.73 PIM1 (0.38) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL16060936 0.73 PIM1 (0.36) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL3420688 0.72 L3MBTL1 (0.39) BCHEGPR119BUB1HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812445-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-12-30 EP disclosed
US-8946217-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2015-02-03 US disclosed
US-20140294946-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 US disclosed
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2013-11-28 US disclosed
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2012-10-11 US disclosed
US-8153629-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-04-10 US disclosed
US-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2010-09-16 US disclosed
US-7750002-B2 Pharmaceutical compounds PIRAMED LIMITED (GB) 2010-07-06 US disclosed
US-20080207611-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
CN-1910151-A Cyclic amine derivative with heteroaryl ring SANKYO CO (JP) 2007-02-07 CN disclosed
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 US disclosed
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 EP 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 (7 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-20140294946-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIM1 533/4885MARK3 1841/4885MAP4K2 212/4885
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIM1 533/4885MARK3 1841/4885MAP4K2 212/4885
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 PIM1 3670/4885MARK3 3483/4885MAP4K2 2426/4885
US-20080207611-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 PIM1 522/4885MARK3 1846/4885MAP4K2 207/4885
US-20070259879-A1 Piperazine and piperidine biaryl derivatives CYP3A5, CYP3A43, CCR5 PIM1 837/4885MARK3 1184/4885MAP4K2 2594/4885
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIM1 533/4885MARK3 1841/4885MAP4K2 212/4885
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIM1 533/4885MARK3 1841/4885MAP4K2 212/4885

“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.