SCHEMBL4806392

SCHEMBL4806392

NC(Cc1ccccc1)c1cc(-c2ccc3[nH]nc(O)c3c2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 11/20 0.51
KLKB1 P03952 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
MKNK1 Q9BUB5 1/20 0.41
ROCK2 O75116 3/20 0.41
JAK2 O60674 2/20 0.41
CDK2 P24941 5/20 0.40
CDK7 P50613 4/20 0.40
CDC7 O00311 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
KDR P35968 1/20 0.39
GSK3B P49841 1/20 0.39
AURKB Q96GD4 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
CLK4 Q9HAZ1 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
SCHEMBL4798617 0.82 F11 (0.57) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL3165474 0.82 JAK2 (0.46) F11MKNK1ROCK2JAK2CDK2
SCHEMBL2329787 0.78 F11 (0.47) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL14063558 0.77 JAK2 (0.42) F11MKNK1JAK2GSK3B
SCHEMBL2326123 0.77 ROCK2 (0.45) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL4806539 0.76 GRIA2 (0.50) F11
SCHEMBL2325996 0.76 F11 (0.88) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2325989 0.76 F11 (0.88) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL4797888 0.74 GPR142 (0.41) F11MKNK1ROCK2MKNK2
SCHEMBL4804375 0.72 ROCK2 (0.39) 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 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 2/4885KLKB1 10/4885PRSS1 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.