SCHEMBL4804544

SCHEMBL4804544

NC(=O)c1ccccc1C[CH]c1cc(-c2ccc3c(N)noc3c2)cc(=O)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.34
MAPK14 Q16539 2/20 0.33
F10 P00742 4/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
PARP1 P09874 1/20 0.31
XDH P47989 1/20 0.31
MAP4K4 O95819 1/20 0.30
IKBKB O14920 1/20 0.30

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
SCHEMBL4800934 0.85 JAK2 (0.44) MKNK1MKNK2
SCHEMBL3170684 0.82 MAP4K4 (0.36) F11MAPK14F10MAP4K4IKBKB
SCHEMBL4803811 0.81 IKBKB (0.39) PARP1IKBKB
SCHEMBL4803121 0.80 F11 (0.41) F11MAPK14F10MKNK1MKNK2
SCHEMBL4800638 0.75 CYP11B2 (0.41)
SCHEMBL4804556 0.67 F11 (0.43) F11MAPK14MKNK1MKNK2XDH
SCHEMBL3174551 0.67 PDPK1 (0.46) MKNK1MKNK2
SCHEMBL14063574 0.67 MAPK14 (0.38) F11MAPK14XDH
SCHEMBL3168792 0.66 JAK2 (0.50) MKNK1MKNK2
SCHEMBL3175009 0.66 JAK2 (0.44) MKNK1MKNK2

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-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 US disclosed
EP-1773775-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-04-18 EP disclosed
US-20060009455-A1 especially blood coagulation factor XIa and plasma kallikrein; e.g. 4-aminomethyl-[2-phenyl-1-(4-phenyl-pyridin-2-yl)-ethyl]-trans cyclohexanecarboxamide; anticoagulant, antiinflammatory agent; BRISTOL-MYERS SQUIBB COMPANY 2006-01-12 US disclosed
WO-2005123680-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-29 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-20060009455-A1 especially blood coagulation factor XIa and plasma kallikrein; e.g. 4-aminomethyl-[2-phenyl-1-(4-phenyl-pyridin-2-yl)-ethyl]-trans cyclohexanecarboxamide; anticoagulant, antiinflammatory agent; F12, F11, F2 F11 2/4885MAPK14 442/4885F10 13/4885

“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.