SCHEMBL4048117

SCHEMBL4048117

Fc1ccccc1-c1nccc(-c2c[c]n[nH]2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.43
PIM1 P11309 3/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
NPC1 O15118 2/20 0.35
NISCH Q9Y2I1 1/20 0.35
TGFBR1 P36897 1/20 0.34
DCUN1D1 Q96GG9 2/20 0.33
IDO1 P14902 1/20 0.33
MAP4K1 Q92918 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MPL P40238 1/20 0.32
PLK4 O00444 1/20 0.32
MAPK13 O15264 1/20 0.32
DAPK3 O43293 1/20 0.32
DYRK3 O43781 1/20 0.32

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
SCHEMBL4044804 0.80 KMT2A (0.40) NPC1L3MBTL1CDK1CDC7CCNE2
SCHEMBL1899150 0.78 NISCH (0.41) NPC1NISCHDCUN1D1IDO1L3MBTL1
SCHEMBL4046043 0.77 KMT2A (0.51) NPC1L3MBTL1MAPK1CLK4
SCHEMBL28296096 0.77 NPC1 (0.50) MAPKAPK2PIM1PIM3PIM2NPC1
SCHEMBL4043405 0.69 PIM1 (0.32) PIM1
SCHEMBL1895492 0.69 KDM4E (0.48) NPC1NISCHL3MBTL1CDK1MAPK1
SCHEMBL8363964 0.67 CYP1A2 (0.44) NPC1TGFBR1L3MBTL1MAPK1
SCHEMBL22578252 0.67 NPC1 (0.40) MAPKAPK2NPC1NISCHDCUN1D1L3MBTL1
SCHEMBL22578253 0.67 NPC1 (0.40) MAPKAPK2NPC1NISCHDCUN1D1L3MBTL1
SCHEMBL28114442 0.67 BACE1 (0.45) PIM1PIM3PIM2NPC1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 EP 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 (2 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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R MAPKAPK2 2813/4885PIM1 3522/4885PIM3 3918/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R MAPKAPK2 2567/4885PIM1 3350/4885PIM3 3793/4885

“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.