SCHEMBL478911

SCHEMBL478911

COC(=O)Nc1ccc(-c2cc(C(N)CC(=O)OC(C)(C)C)c(Cl)nn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 4/20 0.41
F2 P00734 1/20 0.41
F9 P00740 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
PROC P04070 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
F7 P08709 1/20 0.41
PRSS3 P35030 1/20 0.41
CYP17A1 P05093 3/20 0.38
CASP1 P29466 3/20 0.36
MAPKAPK2 P49137 2/20 0.36
AAK1 Q2M2I8 3/20 0.36
MAP4K4 O95819 1/20 0.36
SREBF2 Q12772 1/20 0.35
HDAC3 O15379 1/20 0.35

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
SCHEMBL3414078 0.87 F11 (0.43) F11F2F9F10PLG
SCHEMBL478787 0.80 F11 (0.52) F11F2F9F10PLG
SCHEMBL478784 0.72 F11 (0.43) F11F9F10PLGPLAT
SCHEMBL3414071 0.72 F11 (0.40) F11F2F9F10PLG
SCHEMBL478783 0.72 F11 (0.43) F11F9F10PLGPLAT
SCHEMBL3413549 0.72 F11 (0.42) F11F2F9F10PLG
SCHEMBL3414073 0.70 CASP1 (0.40) F11F2F9F10PLG
SCHEMBL4030831 0.70 CYP17A1 (0.46) CYP17A1MAPKAPK2MAP4K4PSMB8
SCHEMBL478721 0.69 F11 (0.45) F11F9F10PLGPLAT
SCHEMBL478722 0.69 F11 (0.45) F11F9F10PLGPLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US 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-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 F11 1/4885F2 4/4885F9 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.