SCHEMBL6163930

SCHEMBL6163930

CC(C)(C)OC(=O)NCCCCNc1nc(Cl)c(-c2ccccc2)n(CC(=O)O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F7 P08709 18/20 0.52
F3 P13726 18/20 0.52
F2 P00734 14/20 0.52
BRD4 O60885 2/20 0.48
PRSS1 P07477 1/20 0.47

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
SCHEMBL5848201 0.98 F7 (0.52) F7F3F2BRD4PRSS1
SCHEMBL5845876 0.94 F7 (0.51) F7F3F2PRSS1
SCHEMBL23460607 0.76 F7 (0.63) F7F3F2PRSS1
SCHEMBL7456064 0.74 BRD4 (0.46) F7F3F2BRD4
SCHEMBL3594973 0.71 KDM4E (0.49) F7F3F2
SCHEMBL30125373 0.71 STK17B (0.62) BRD4
SCHEMBL5848234 0.71 F7 (0.54) F7F3F2PRSS1
SCHEMBL24863495 0.70 ACACB (0.55) BRD4
SCHEMBL5846880 0.69 F7 (0.61) F7F3F2PRSS1
SCHEMBL4410122 0.69 FAAH (0.65)

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
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-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-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-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-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 (3 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 F7 75/4885F3 18/4885F2 6/4885
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT F7 62/4885F3 19/4885F2 6/4885
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 F7 196/4885F3 100/4885F2 33/4885

“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.