SCHEMBL479155

SCHEMBL479155

CC(C)(C)OC(=O)N[C@@H](Cc1cc(-c2ccc(NC(=O)OCc3ccccc3)cc2)c(=O)[nH]n1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
ROCK2 O75116 2/20 0.42
MAPT P10636 3/20 0.41
JAK2 O60674 1/20 0.41
SYK P43405 1/20 0.39
F11 P03951 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
BACE1 P56817 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL478814 0.91 F11 (0.43) ROCK2F11
SCHEMBL479154 0.87 F11 (0.51) PDE3BPDE3AROCK2MAPTJAK2
SCHEMBL478620 0.83 F11 (0.37) F11MAPK1
SCHEMBL478977 0.82 ROCK2 (0.41) ROCK2JAK2F11POLBMAPK1
SCHEMBL478793 0.79 SYK (0.48) PDE3BPDE3AROCK2MAPTJAK2
SCHEMBL478811 0.79 F11 (0.58) MAPTF11
SCHEMBL478991 0.79 CYP17A1 (0.39) MAPTJAK2F11MAPK1
SCHEMBL478462 0.79 F11 (0.42) PDE3BPDE3AROCK2JAK2F11
SCHEMBL478912 0.76 F11 (0.44) PDE3BPDE3AROCK2F11POLB
SCHEMBL478391 0.76 F11 (0.48) MAPTJAK2F11

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 PDE3B 2861/4885PDE3A 2141/4885ROCK2 596/4885

“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.