SCHEMBL478787

SCHEMBL478787

COC(=O)Nc1ccc(-c2cc(C(N)Cc3ccccc3)c(Cl)nn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F11 P03951 17/20 0.52
KLKB1 P03952 2/20 0.52
PRSS1 P07477 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
F10 P00742 2/20 0.52
PLG P00747 2/20 0.52
PLAT P00750 2/20 0.52
F2 P00734 1/20 0.52
F9 P00740 1/20 0.52
PLAU P00749 1/20 0.52
PROC P04070 1/20 0.52
F7 P08709 1/20 0.52
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASP1 P29466 1/20 0.41

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 0.86 F11 (0.43) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478693 0.84 F11 (0.50) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478882 0.83 F11 (0.58) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL3413549 0.82 F11 (0.42) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478836 0.82 F11 (0.52) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478865 0.81 F11 (0.52) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL479060 0.80 F11 (0.51) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478911 0.80 F11 (0.41) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL3414071 0.78 F11 (0.40) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL3414366 0.76 F11 (0.44) F11KLKB1PRSS1PRSS2PRSS3

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 5 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
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 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 (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 1/4885KLKB1 17/4885PRSS1 37/4885

“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.