SCHEMBL2468574

SCHEMBL2468574

Cc1onc(-c2ccccc2F)c1-c1cn(-c2ncccn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.38
PTGS2 P35354 2/20 0.37
KDM4E B2RXH2 2/20 0.37
EPAS1 Q99814 1/20 0.36
MAPT P10636 3/20 0.35
HSP90AB1 P08238 1/20 0.35
BRD4 O60885 1/20 0.34
RET P07949 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 1/20 0.33
HTR7 P34969 1/20 0.33
PIM1 P11309 1/20 0.33
MBNL1 Q9NR56 1/20 0.33

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
SCHEMBL2472128 0.83 PTGS2 (0.54) PTGS1ALDH1A1PTGS2MAPTHSP90AB1
SCHEMBL2471686 0.83 PAX8 (0.40) PTGS1PTGS2KDM4EMAPTBRD4
SCHEMBL2472327 0.82 PTGS2 (0.45) PTGS1PTGS2MAPT
SCHEMBL2473590 0.81 MAPT (0.43) PTGS1ALDH1A1GPBAR1PTGS2KDM4E
SCHEMBL2468988 0.81 PTGS1 (0.41) PTGS1GPBAR1PTGS2MAPTBRD4
SCHEMBL2473701 0.80 GPBAR1 (0.40) PTGS1ALDH1A1TSHRGPBAR1KDM4E
SCHEMBL2472122 0.79 PTGS1 (0.40) PTGS1ALDH1A1TSHRGPBAR1EPAS1
SCHEMBL2472376 0.78 PTGS2 (0.40) PTGS1ALDH1A1PTGS2MAPTBRD4
SCHEMBL2468922 0.72 PTGS1 (0.47) PTGS1ALDH1A1TSHRGPBAR1PTGS2
SCHEMBL2473690 0.71 PTGS2 (0.51) PTGS1ALDH1A1PTGS2MAPTHSP90AB1

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 PTGS1 2693/4885ALDH1A1 252/4885TSHR 410/4885

“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.