SCHEMBL2470840

SCHEMBL2470840

Cc1onc(-c2ccccc2)c1-c1cn(-c2ccc(C#N)cc2)c(COCc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS2 P35354 3/20 0.39
PTGS1 P23219 2/20 0.39
HTT P42858 2/20 0.37
GHSR Q92847 2/20 0.37
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAOB P27338 1/20 0.34
POLB P06746 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL2469050 0.90 MAPT (0.46) GABRA5MAPTTDP1L3MBTL1PTGS2
SCHEMBL2472364 0.86 GABRA5 (0.43) GABRA5MAPTTDP1L3MBTL1PTGS2
SCHEMBL2470784 0.84 MAPK14 (0.42) GABRA5MAPTTDP1L3MBTL1PTGS2
SCHEMBL2472135 0.84 GABRA5 (0.44) GABRA5MAPTTDP1L3MBTL1PTGS2
SCHEMBL2470872 0.82 MAPT (0.47) GABRA5MAPTTDP1L3MBTL1PTGS2
SCHEMBL2469049 0.80 GABRA5 (0.42) GABRA5MAPTTDP1L3MBTL1PTGS2
SCHEMBL2470549 0.79 GABRA5 (0.42) GABRA5MAPTTDP1L3MBTL1PTGS2
SCHEMBL2474005 0.78 GABRA5 (0.41) GABRA5MAPTTDP1L3MBTL1PTGS2
SCHEMBL2471441 0.78 TDP1 (0.42) GABRA5MAPTTDP1L3MBTL1PTGS2
SCHEMBL2470777 0.78 GABRA5 (0.41) GABRA5MAPTTDP1L3MBTL1PTGS2

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 10 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
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 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
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 WO claimed
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 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
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 GABRA5 1/4885MAPT 254/4885TDP1 3176/4885

“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.