SCHEMBL479101

SCHEMBL479101

COC(=O)Nc1ccc(-c2cnnc(C(N)Cc3ccccc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F11 P03951 13/20 0.51
KLKB1 P03952 3/20 0.51
F10 P00742 2/20 0.51
PLG P00747 2/20 0.51
PROC P04070 1/20 0.51
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LIPC P11150 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
ROCK2 O75116 3/20 0.41
PLAT P00750 1/20 0.40
ROCK1 Q13464 1/20 0.40
HPGD P15428 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL479102 1.00 F11 (0.51) F11KLKB1F10PLGPROC
SCHEMBL1196058 0.84 F11 (0.62) F11KLKB1F10PLGPRSS1
SCHEMBL479060 0.82 F11 (0.51) F11KLKB1F10PLGPROC
SCHEMBL478708 0.82 F11 (0.51) F11KLKB1F10PLGPRSS1
SCHEMBL478707 0.82 F11 (0.51) F11KLKB1F10PLGPRSS1
SCHEMBL478938 0.81 F11 (0.51) F11KLKB1F10PLGPRSS1
SCHEMBL478836 0.81 F11 (0.52) F11KLKB1F10PLGPRSS1
SCHEMBL478937 0.81 F11 (0.51) F11KLKB1F10PLGPRSS1
SCHEMBL478894 0.81 F11 (0.42) F11KLKB1F10PLGPRSS1
SCHEMBL478961 0.81 F11 (0.46) F11KLKB1F10PLGPRSS1

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 4 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
CN-102026996-A Pyridazine derivatives as factor XIA inhibitors BRISTOL MYERS SQUIBB CO 2011-04-20 CN 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 1/4885KLKB1 17/4885F10 14/4885

“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.