SCHEMBL2473221

SCHEMBL2473221

Cc1onc(-c2ccc(F)c(F)c2)c1-c1cn(-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PAX8 Q06710 1/20 0.37
GPBAR1 Q8TDU6 2/20 0.37
TRPA1 O75762 2/20 0.37
PTGS2 P35354 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
S1PR1 P21453 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK11 Q15759 1/20 0.35

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
SCHEMBL2468902 0.86 PTGS1 (0.47) PTGS2MAPTMAPK14GABRA5PTGS1
SCHEMBL2470875 0.84 BRD4 (0.44) KDM4EPAX8MAPK14GABRA5L3MBTL1
SCHEMBL2468925 0.83 TLR2 (0.40) NPSR1PAX8PTGS2GAAMAPT
SCHEMBL2471867 0.83 PTGS2 (0.44) PAX8GPBAR1PTGS2MAPK13MAPK12
SCHEMBL2473712 0.81 PTGS2 (0.48) PAX8GPBAR1PTGS2MAPK13MAPK12
SCHEMBL2474103 0.81 PTGS2 (0.48) NPSR1KDM4EPAX8PTGS2MAPT
SCHEMBL2471686 0.81 PAX8 (0.40) NPSR1KDM4EPAX8PTGS2MAPT
SCHEMBL2473626 0.78 MAPT (0.43) NPSR1KDM4EGPBAR1PTGS2GAA
SCHEMBL2473617 0.78 NPC1 (0.46) PAX8PTGS2MAPK13MAPK12MAPK10
SCHEMBL2471762 0.78 PTGS1 (0.47) NPSR1PTGS2GAAMAPTMCOLN3

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 PSEN1 103/4885PSEN2 119/4885APH1B 1705/4885

“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.