SCHEMBL5847925

SCHEMBL5847925

CN(C)c1cccc(-c2c(Cl)nc(Cl)c(=O)n2CC(=O)OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.49
F7 P08709 7/20 0.49
F3 P13726 6/20 0.49
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
MCTS1 Q9ULC4 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
F10 P00742 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5847197 0.87 CYP1A2 (0.48) F2F7F3CYP1A2CYP2C9
SCHEMBL14537324 0.85 F2 (0.50) F2F7F3SLC16A3SLC16A1
SCHEMBL5847414 0.85 F7 (0.51) F2F7F3CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL5846292 0.84 F7 (0.51) F2F7F3CYP1A2CYP2C9
SCHEMBL5846183 0.83 F2 (0.51) F2F7F3ALDH1A1MAPT
SCHEMBL5846166 0.82 F2 (0.50) F2F7F3CYP1A2CYP2C9
Benzaldehyde SCHEMBL6717653 0.80 F7 (0.49) F2F7F3CYP1A2CYP2C9
SCHEMBL23460740 0.77 F7 (0.58) F2F7F3
SCHEMBL3240576 0.77 MEN1 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL30765979 0.76 F2 (0.45) F2F7F3CYP1A2CYP2C9

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-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
US-6908919-B2 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-06-21 US 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-20040102448-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-05-27 US disclosed
US-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PHARMACIA CORPORATION 2004-01-08 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
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

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 F2 6/4885F7 75/4885F3 18/4885
US-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PRSS1, SERPINC1, SERPINE1 F2 33/4885F7 196/4885F3 100/4885

“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.