SCHEMBL5846799

SCHEMBL5846799

CC(C)(C)OC(=O)NC(=O)OC(C)(C)C.Cc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
CYP2A6 P11509 1/20 0.52
EGLN2 Q96KS0 2/20 0.43
TBXA2R P21731 2/20 0.40
GPR119 Q8TDV5 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39
MGLL Q99685 1/20 0.38
KCNA5 P22460 1/20 0.38
PTPN11 Q06124 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL1457556 0.83 PRSS1 (0.49) EGLN2EPHX2MEN1POLBRAB9A
SCHEMBL5848044 0.81 EGLN2 (0.44) ALDH1A1EGLN2KDM4EKMT2A
SCHEMBL4889480 0.79 NOS3 (0.45) EGLN2GPR119MGLLPTPN11CTSS
SCHEMBL959690 0.79 EGLN2 (0.55) ALDH1A1EGLN2HTTPTPN11KDM4E
SCHEMBL15540186 0.76 EGLN2 (0.45) ALDH1A1EGLN2HTTPTPN11KDM4E
SCHEMBL20738675 0.76 EPHX2 (0.43) EGLN2GPR119MGLLPTPN11CTSS
SCHEMBL5987417 0.76 EGLN2 (0.35) EGLN2CTSSCTSKRAB9A
SCHEMBL20397912 0.76 KDM4E (0.40) ALDH1A1EGLN2PTPN11CTSSCTSK
SCHEMBL3274015 0.75 EPHX2 (0.58) PTPN11CTSSCTSKEPHX2
SCHEMBL20415703 0.75 FBP1 (0.39) ALDH1A1EGLN2KDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119094-B1 Substituted polycyclic aryl and heteroarpyl pyrazinones useful for selective inhibition of the coagulation cascade WARNER-LAMBERT COMPANY (US) 2006-10-10 US disclosed
EP-1586565-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade Pharmacia Corporation (US) 2005-10-19 EP disclosed
EP-1202975-B1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORP (US) 2005-04-06 EP disclosed
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2005-02-24 US disclosed
US-20040102448-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-05-27 US disclosed
US-6664255-B1 1-alkylamido-3-amino substituted; inhibiting serine proteases PHARMACIA CORPORATION 2003-12-16 US disclosed
EP-1292579-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-03-19 EP disclosed
EP-1202975-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2002-05-08 EP disclosed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed
WO-2000069834-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2000-11-23 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 (2 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-20040102448-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade TFPI, PLAT, TFPI2 ALDH1A1 3539/4885CYP2A6 572/4885EGLN2 320/4885
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT ALDH1A1 3516/4885CYP2A6 690/4885EGLN2 328/4885

“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.