SCHEMBL4800943

SCHEMBL4800943

Nc1n[nH]c2cc(-c3cc(C(N)Cc4ccccc4)[nH]c(=O)c3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.52
MKNK1 Q9BUB5 5/20 0.52
MKNK2 Q9HBH9 5/20 0.52
SGK1 O00141 2/20 0.51
F11 P03951 8/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
PDPK1 O15530 4/20 0.44
AURKA O14965 1/20 0.43
TGFBR1 P36897 1/20 0.43
AURKB Q96GD4 1/20 0.43
KLKB1 P03952 1/20 0.42

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
SCHEMBL4804556 0.82 F11 (0.43) JAK2MKNK1MKNK2SGK1F11
SCHEMBL4803815 0.80 F11 (0.50) F11
SCHEMBL14063588 0.79 PDPK1 (0.53) JAK2MKNK1MKNK2SGK1PDPK1
SCHEMBL2334794 0.79 MKNK1 (0.42) JAK2MKNK1MKNK2SGK1F11
SCHEMBL3174554 0.79 JAK2 (0.56) JAK2MKNK1MKNK2SGK1F11
SCHEMBL3168797 0.78 JAK2 (0.62) JAK2MKNK1MKNK2SGK1F11
SCHEMBL3177340 0.78 JAK2 (0.62) JAK2MKNK1MKNK2SGK1F11
SCHEMBL3173840 0.78 JAK2 (0.62) JAK2MKNK1MKNK2SGK1F11
SCHEMBL2334790 0.78 F11 (0.62) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL3169617 0.77 JAK2 (0.53) JAK2MKNK1MKNK2SGK1F11

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 2 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
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

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 JAK2 747/4885MKNK1 1920/4885MKNK2 1630/4885

“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.