SCHEMBL16296314

SCHEMBL16296314

CC(Br)c1ccc(NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ BCL2 P10415 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ DEGS1 O15121 2/20 0.40
▸ NAMPT P43490 2/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ ATR Q13535 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.37
▸ F13A1 P00488 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ TGM1 P22735 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ FFAR2 O15552 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL30506468 0.89 DEGS1 (0.48) GSK3BDYRK1ABCL2MAPK1DEGS1
SCHEMBL22606745 0.89 DEGS1 (0.48) GSK3BDYRK1ABCL2MAPK1DEGS1
SCHEMBL31726922 0.87 MAPK1 (0.43) GSK3BDYRK1ABCL2MAPK1DEGS1
SCHEMBL28071467 0.86 GSK3B (0.41) GSK3BDYRK1ABCL2MAPK1DEGS1
SCHEMBL24738966 0.86 GSK3B (0.43) GSK3BDYRK1ABCL2MAPK1DEGS1
SCHEMBL27946209 0.85 MAPK1 (0.42) GSK3BDYRK1ABCL2MAPK1DEGS1
SCHEMBL16754096 0.81 GRIN2B (0.45) GSK3BDYRK1ABCL2DEGS1NAMPT
SCHEMBL31727221 0.81 NAMPT (0.41) GSK3BDYRK1ABCL2MAPK1DEGS1
SCHEMBL29372377 0.80 RAB9A (0.51) BCL2MAPK1MAPTRAB9A
SCHEMBL283737 0.80 RAB9A (0.51) BCL2MAPK1MAPTRAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834527-B2 Macrocyclic urea derivatives as inhibitors of TAFIa, their preparation and their use as pharmaceuticals SANOFI (FR) 2017-12-05 — — US disclosed
EP-3027611-B1 MACROCYCLIC UREA DERIVATIVES AS INHIBITORS OF TAFI A, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-07-26 — — EP disclosed
EP-3027611-A1 MACROCYCLIC UREA DERIVATIVES AS INHIBITORS OF TAFI A, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-06-08 — — EP disclosed
US-20160137618-A1 Macrocyclic Urea Derivatives as Inhibitors of TAFIa, Their Preparation and Their Use as Pharmaceuticals SANOFI (FR) 2016-05-19 — — US disclosed
WO-2014198620-A1 MACROCYCLIC UREA DERIVATIVES AS INHIBITORS OF TAFIA, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-12-18 — — WO disclosed
CN-100469778-C Novel fused imidazole derivatives EISAI R&D MAN CO LTD (JP) 2009-03-18 — — CN disclosed
CN-100348599-C Novel fused imidazole derivatives EISAI CO LTD (JP) 2007-11-14 — — CN disclosed
CN-1931859-A New fused imidazole derivative EISAI CO LTD (JP) 2007-03-21 — — CN disclosed
CN-1675208-A Novel fused imidazole derivatives EISAI CO LTD (JP) 2005-09-28 — — CN 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-20160137618-A1 Macrocyclic Urea Derivatives as Inhibitors of TAFIa, Their Preparation and Their Use as Pharmaceuticals TFPI, TFPI2, F12 GSK3B 4040/4885DYRK1A 4136/4885BCL2 3315/4885

“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.

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