SCHEMBL2471768

SCHEMBL2471768

COC(=O)c1ccc(-n2cnc(-c3c(-c4ccc(F)cc4)noc3C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 10/20 0.50
LMNA P02545 2/20 0.43
BRD4 O60885 2/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MAP2K4 P45985 1/20 0.41
PTGS2 P35354 2/20 0.41
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 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
SCHEMBL2470837 0.89 BRD4 (0.45) GABRA5BRD4PIK3CAMTORPTGS2
SCHEMBL2469015 0.89 GABRA5 (0.47) GABRA5LMNAPTGS2MAPK13MAPK12
SCHEMBL2318362 0.88 GABRA5 (0.52) GABRA5LMNAPIK3CDPIK3CAMTOR
SCHEMBL2473712 0.87 PTGS2 (0.48) PIK3CDPTGS2MAPK13MAPK12MAPK10
SCHEMBL2471743 0.83 GABRA5 (0.49) GABRA5TP53MAPT
SCHEMBL2473617 0.82 NPC1 (0.46) LMNAPIK3CDTP53PTGS2MAPK13
SCHEMBL2472121 0.82 PTGS2 (0.50) LMNAMAPTPTGS2MAPK13MAPK12
SCHEMBL2471855 0.81 PTGS2 (0.47) MAPTPTGS2MAPK13MAPK12MAPK10
SCHEMBL2473840 0.81 MAPK14 (0.45) PTGS2MAPK13MAPK12MAPK10MAPK11
SCHEMBL2473287 0.81 PTGS2 (0.46) PIK3CDPTGS2MAPK13MAPK12MAPK10

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
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP claimed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US claimed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US claimed
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 GABRA5 1/4885LMNA 4287/4885BRD4 677/4885

“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.